N-[1-[[3-[dimethylsulfinamoyl(methyl)amino]cyclopentyl]methyl]piperidin-4-yl]-N-prop-2-enylformamide

C18H34N4O2S — CID 142033561

IUPACN-[1-[[3-[dimethylsulfinamoyl(methyl)amino]cyclopentyl]methyl]piperidin-4-yl]-N-prop-2-enylformamide
SMILESC=CCN(C=O)C1CCN(CC2CCC(N(C)S(=O)N(C)C)C2)CC1
InChIInChI=1S/C18H34N4O2S/c1-5-10-22(15-23)17-8-11-21(12-9-17)14-16-6-7-18(13-16)20(4)25(24)19(2)3/h5,15-18H,1,6-14H2,2-4H3
InChIKeyGZWOQIZRHRLJTQ-UHFFFAOYSA-N
MW370.56 g/mol
LogP1.34
Rot. Bonds9

About N-[1-[[3-[dimethylsulfinamoyl(methyl)amino]cyclopentyl]methyl]piperidin-4-yl]-N-prop-2-enylformamide

N-[1-[[3-[dimethylsulfinamoyl(methyl)amino]cyclopentyl]methyl]piperidin-4-yl]-N-prop-2-enylformamide (PubChem CID 142033561) has the molecular formula C18H34N4O2S and a molecular weight of 370.56 g/mol. Its IUPAC name is N-[1-[[3-[dimethylsulfinamoyl(methyl)amino]cyclopentyl]methyl]piperidin-4-yl]-N-prop-2-enylformamide.

Molecular Properties

Compound NameN-[1-[[3-[dimethylsulfinamoyl(methyl)amino]cyclopentyl]methyl]piperidin-4-yl]-N-prop-2-enylformamide
PubChem CID142033561
Molecular FormulaC18H34N4O2S
Molecular Weight370.56 g/mol
Exact Mass370.24
IUPAC NameN-[1-[[3-[dimethylsulfinamoyl(methyl)amino]cyclopentyl]methyl]piperidin-4-yl]-N-prop-2-enylformamide
SMILESC=CCN(C=O)C1CCN(CC2CCC(N(C)S(=O)N(C)C)C2)CC1
InChIInChI=1S/C18H34N4O2S/c1-5-10-22(15-23)17-8-11-21(12-9-17)14-16-6-7-18(13-16)20(4)25(24)19(2)3/h5,15-18H,1,6-14H2,2-4H3
InChIKeyGZWOQIZRHRLJTQ-UHFFFAOYSA-N
XLogP1.34
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.56
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(oxan-4-yl)-N-prop-2-enylformamide
CID 145331941
1-(cyclopropylmethyl)-N,N-dimethylpiperidin-4-amine
CID 121338360
N-[3-[[4-[3-(4-fluorophenyl)propyl]piperidin-1-yl]methyl]cyclopentyl]-N-methylbenzenesulfinamide
CID 142032852
N-[(3R)-3-[[4-(3-benzyl-1-ethylpyrazol-5-yl)piperidin-1-yl]methyl]cyclopentyl]-N-methylbenzamide;prop-1-ene
CID 142032939
1-(cyclopropylmethyl)piperidine-4-carbaldehyde
CID 62656102
2-[methyl-[(3R)-3-[[4-(3-phenylpropyl)piperidin-1-yl]methyl]cyclopentyl]amino]acetic acid
CID 153052530
benzene;benzyl N-methyl-N-[3-[[4-(3-phenylpropyl)piperidin-1-yl]methyl]cyclopentyl]carbamate
CID 142032996
3-methyl-2-[[(3R)-3-[[4-[(4-nitrophenyl)methoxycarbonyl-prop-2-enylamino]piperidin-1-yl]methyl]cyclopentyl]methyl]butanoic acid
CID 142033721
3-(piperidin-1-ylmethyl)cyclopentane-1-carboxylic acid
CID 83820985
benzene;N-methyl-N-[3-[[4-(3-phenylpropyl)piperidin-1-yl]methyl]cyclopentyl]cyclohexanamine
CID 142033004
4-methyl-1-[(3-methylcyclopentyl)methyl]-1,5-diazocane
CID 107415125
1-cyclopropyl-3-ethyl-3-methyl-1-prop-2-enylurea
CID 116657097

Frequently Asked Questions

What is the IUPAC name of N-[1-[[3-[dimethylsulfinamoyl(methyl)amino]cyclopentyl]methyl]piperidin-4-yl]-N-prop-2-enylformamide?
The IUPAC name of N-[1-[[3-[dimethylsulfinamoyl(methyl)amino]cyclopentyl]methyl]piperidin-4-yl]-N-prop-2-enylformamide (CID 142033561) is N-[1-[[3-[dimethylsulfinamoyl(methyl)amino]cyclopentyl]methyl]piperidin-4-yl]-N-prop-2-enylformamide.
What is the SMILES notation for N-[1-[[3-[dimethylsulfinamoyl(methyl)amino]cyclopentyl]methyl]piperidin-4-yl]-N-prop-2-enylformamide?
The canonical SMILES for N-[1-[[3-[dimethylsulfinamoyl(methyl)amino]cyclopentyl]methyl]piperidin-4-yl]-N-prop-2-enylformamide is C=CCN(C=O)C1CCN(CC2CCC(N(C)S(=O)N(C)C)C2)CC1.
What is the InChIKey of N-[1-[[3-[dimethylsulfinamoyl(methyl)amino]cyclopentyl]methyl]piperidin-4-yl]-N-prop-2-enylformamide?
The InChIKey is GZWOQIZRHRLJTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N4O2S/c1-5-10-22(15-23)17-8-11-21(12-9-17)14-16-6-7-18(13-16)20(4)25(24)19(2)3/h5,15-18H,1,6-14H2,2-4H3.
What are the key properties of N-[1-[[3-[dimethylsulfinamoyl(methyl)amino]cyclopentyl]methyl]piperidin-4-yl]-N-prop-2-enylformamide?
N-[1-[[3-[dimethylsulfinamoyl(methyl)amino]cyclopentyl]methyl]piperidin-4-yl]-N-prop-2-enylformamide has a molecular weight of 370.56 g/mol, XLogP of 1.34, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[3-[dimethylsulfinamoyl(methyl)amino]cyclopentyl]methyl]piperidin-4-yl]-N-prop-2-enylformamide is sourced from PubChem (CID 142033561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).