N-[[1-(2-methylpiperidin-1-yl)sulfonylpiperidin-4-yl]methyl]cyclopropanamine

C15H29N3O2S — CID 63855296

IUPACN-[[1-(2-methylpiperidin-1-yl)sulfonylpiperidin-4-yl]methyl]cyclopropanamine
SMILESCC1CCCCN1S(=O)(=O)N1CCC(CNC2CC2)CC1
InChIInChI=1S/C15H29N3O2S/c1-13-4-2-3-9-18(13)21(19,20)17-10-7-14(8-11-17)12-16-15-5-6-15/h13-16H,2-12H2,1H3
InChIKeyNVXPACWRMONOJN-UHFFFAOYSA-N
MW315.48 g/mol
LogP1.57
Rot. Bonds5

About N-[[1-(2-methylpiperidin-1-yl)sulfonylpiperidin-4-yl]methyl]cyclopropanamine

N-[[1-(2-methylpiperidin-1-yl)sulfonylpiperidin-4-yl]methyl]cyclopropanamine (PubChem CID 63855296) has the molecular formula C15H29N3O2S and a molecular weight of 315.48 g/mol. Its IUPAC name is N-[[1-(2-methylpiperidin-1-yl)sulfonylpiperidin-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(2-methylpiperidin-1-yl)sulfonylpiperidin-4-yl]methyl]cyclopropanamine
PubChem CID63855296
Molecular FormulaC15H29N3O2S
Molecular Weight315.48 g/mol
Exact Mass315.20
IUPAC NameN-[[1-(2-methylpiperidin-1-yl)sulfonylpiperidin-4-yl]methyl]cyclopropanamine
SMILESCC1CCCCN1S(=O)(=O)N1CCC(CNC2CC2)CC1
InChIInChI=1S/C15H29N3O2S/c1-13-4-2-3-9-18(13)21(19,20)17-10-7-14(8-11-17)12-16-15-5-6-15/h13-16H,2-12H2,1H3
InChIKeyNVXPACWRMONOJN-UHFFFAOYSA-N
XLogP1.57
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.48
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclopropylmethyl)-1-(2-methylpiperidin-1-yl)sulfonylpiperidin-4-amine;hydrochloride
CID 119987691
N-[[1-(azepan-1-ylsulfonyl)piperidin-4-yl]methyl]cyclopropanamine
CID 63855301
2-methyl-1-piperidin-1-ylsulfonylpiperidine
CID 60723774
2-[1-(2-methylpiperidin-1-yl)sulfonylpiperidin-4-yl]acetamide
CID 47319363
[1-(2-methylpiperidin-1-yl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119972063
N-(cyclopentylmethyl)-1-ethylsulfonylpiperidin-4-amine
CID 62069812
1-(2-methylpiperidin-1-yl)sulfonylpiperidine-4-carbonitrile
CID 62075705
4-[4-(2-methylpiperidin-1-yl)sulfonylpiperazin-1-yl]sulfonylmorpholine
CID 55598118
1-methyl-4-[(2R)-2-methylpiperidin-1-yl]sulfonyl-1,4-diazepane
CID 94021502
N-methyl-1-(2-methylpiperidin-1-yl)sulfonylpiperidin-3-amine;hydrochloride
CID 120714929
N-[[1-(azepan-1-ylsulfonyl)piperidin-3-yl]methyl]cyclopropanamine
CID 63880154
(2R)-2-methyl-1-(4-phenylpiperidin-1-yl)sulfonylpiperidine
CID 39699146

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methylpiperidin-1-yl)sulfonylpiperidin-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(2-methylpiperidin-1-yl)sulfonylpiperidin-4-yl]methyl]cyclopropanamine (CID 63855296) is N-[[1-(2-methylpiperidin-1-yl)sulfonylpiperidin-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(2-methylpiperidin-1-yl)sulfonylpiperidin-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(2-methylpiperidin-1-yl)sulfonylpiperidin-4-yl]methyl]cyclopropanamine is CC1CCCCN1S(=O)(=O)N1CCC(CNC2CC2)CC1.
What is the InChIKey of N-[[1-(2-methylpiperidin-1-yl)sulfonylpiperidin-4-yl]methyl]cyclopropanamine?
The InChIKey is NVXPACWRMONOJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2S/c1-13-4-2-3-9-18(13)21(19,20)17-10-7-14(8-11-17)12-16-15-5-6-15/h13-16H,2-12H2,1H3.
What are the key properties of N-[[1-(2-methylpiperidin-1-yl)sulfonylpiperidin-4-yl]methyl]cyclopropanamine?
N-[[1-(2-methylpiperidin-1-yl)sulfonylpiperidin-4-yl]methyl]cyclopropanamine has a molecular weight of 315.48 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methylpiperidin-1-yl)sulfonylpiperidin-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 63855296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).