[(1R)-1-[[1-[(dimethylsulfamoylamino)methyl]cyclopentyl]amino]ethyl]benzene

C16H27N3O2S — CID 95323120

IUPAC[(1R)-1-[[1-[(dimethylsulfamoylamino)methyl]cyclopentyl]amino]ethyl]benzene
SMILESC[C@@H](NC1(CNS(=O)(=O)N(C)C)CCCC1)c1ccccc1
InChIInChI=1S/C16H27N3O2S/c1-14(15-9-5-4-6-10-15)18-16(11-7-8-12-16)13-17-22(20,21)19(2)3/h4-6,9-10,14,17-18H,7-8,11-13H2,1-3H3/t14-/m1/s1
InChIKeyNWRXKUQWMKRHLU-CQSZACIVSA-N
MW325.48 g/mol
LogP2.05
Rot. Bonds7

About [(1R)-1-[[1-[(dimethylsulfamoylamino)methyl]cyclopentyl]amino]ethyl]benzene

[(1R)-1-[[1-[(dimethylsulfamoylamino)methyl]cyclopentyl]amino]ethyl]benzene (PubChem CID 95323120) has the molecular formula C16H27N3O2S and a molecular weight of 325.48 g/mol. Its IUPAC name is [(1R)-1-[[1-[(dimethylsulfamoylamino)methyl]cyclopentyl]amino]ethyl]benzene.

Molecular Properties

Compound Name[(1R)-1-[[1-[(dimethylsulfamoylamino)methyl]cyclopentyl]amino]ethyl]benzene
PubChem CID95323120
Molecular FormulaC16H27N3O2S
Molecular Weight325.48 g/mol
Exact Mass325.18
IUPAC Name[(1R)-1-[[1-[(dimethylsulfamoylamino)methyl]cyclopentyl]amino]ethyl]benzene
SMILESC[C@@H](NC1(CNS(=O)(=O)N(C)C)CCCC1)c1ccccc1
InChIInChI=1S/C16H27N3O2S/c1-14(15-9-5-4-6-10-15)18-16(11-7-8-12-16)13-17-22(20,21)19(2)3/h4-6,9-10,14,17-18H,7-8,11-13H2,1-3H3/t14-/m1/s1
InChIKeyNWRXKUQWMKRHLU-CQSZACIVSA-N
XLogP2.05
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.48
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-[[(1S)-1-phenylethyl]amino]cyclopentyl]methyl]methanesulfonamide
CID 95331020
1-[(1-hydroxycyclobutyl)methyl]-3-[[1-(1-phenylethylamino)cyclopentyl]methyl]urea
CID 111438810
1,1,3,3-tetramethyl-2-[[1-(1-phenylethylamino)cyclopentyl]methyl]guanidine;hydroiodide
CID 111808861
N-(1-phenylethyl)-1-prop-2-enylcyclooctan-1-amine
CID 3844507
N-[(1R)-1-phenylethyl]-1-prop-2-enylcyclooctan-1-amine
CID 1388970
1-(aminomethyl)-N-(1-phenylethyl)cyclopropan-1-amine
CID 106661264
1-cyclopropyl-1-methyl-2-[[1-(1-phenylethylamino)cyclopentyl]methyl]guanidine
CID 110031198
4-amino-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]butanamide
CID 119884570
2-methyl-5-methylsulfonyl-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]benzamide
CID 86905785
2-amino-3-phenyl-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]propanamide;dihydrochloride
CID 119884525
2-(1,3-dioxan-2-yl)-N-[[1-[[(1R)-1-phenylethyl]amino]cyclopentyl]methyl]acetamide
CID 124625809
3-(2-aminophenyl)-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]propanamide
CID 120613142

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-[[1-[(dimethylsulfamoylamino)methyl]cyclopentyl]amino]ethyl]benzene?
The IUPAC name of [(1R)-1-[[1-[(dimethylsulfamoylamino)methyl]cyclopentyl]amino]ethyl]benzene (CID 95323120) is [(1R)-1-[[1-[(dimethylsulfamoylamino)methyl]cyclopentyl]amino]ethyl]benzene.
What is the SMILES notation for [(1R)-1-[[1-[(dimethylsulfamoylamino)methyl]cyclopentyl]amino]ethyl]benzene?
The canonical SMILES for [(1R)-1-[[1-[(dimethylsulfamoylamino)methyl]cyclopentyl]amino]ethyl]benzene is C[C@@H](NC1(CNS(=O)(=O)N(C)C)CCCC1)c1ccccc1.
What is the InChIKey of [(1R)-1-[[1-[(dimethylsulfamoylamino)methyl]cyclopentyl]amino]ethyl]benzene?
The InChIKey is NWRXKUQWMKRHLU-CQSZACIVSA-N. The full InChI is InChI=1S/C16H27N3O2S/c1-14(15-9-5-4-6-10-15)18-16(11-7-8-12-16)13-17-22(20,21)19(2)3/h4-6,9-10,14,17-18H,7-8,11-13H2,1-3H3/t14-/m1/s1.
What are the key properties of [(1R)-1-[[1-[(dimethylsulfamoylamino)methyl]cyclopentyl]amino]ethyl]benzene?
[(1R)-1-[[1-[(dimethylsulfamoylamino)methyl]cyclopentyl]amino]ethyl]benzene has a molecular weight of 325.48 g/mol, XLogP of 2.05, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-[[1-[(dimethylsulfamoylamino)methyl]cyclopentyl]amino]ethyl]benzene is sourced from PubChem (CID 95323120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).