N-[(2-methylcyclopentyl)methyl]-2-(propan-2-ylamino)ethanesulfonamide

C12H26N2O2S — CID 107419516

IUPACN-[(2-methylcyclopentyl)methyl]-2-(propan-2-ylamino)ethanesulfonamide
SMILESCC(C)NCCS(=O)(=O)NCC1CCCC1C
InChIInChI=1S/C12H26N2O2S/c1-10(2)13-7-8-17(15,16)14-9-12-6-4-5-11(12)3/h10-14H,4-9H2,1-3H3
InChIKeyDEPBREDNNRMJQM-UHFFFAOYSA-N
MW262.42 g/mol
LogP1.34
Rot. Bonds7

About N-[(2-methylcyclopentyl)methyl]-2-(propan-2-ylamino)ethanesulfonamide

N-[(2-methylcyclopentyl)methyl]-2-(propan-2-ylamino)ethanesulfonamide (PubChem CID 107419516) has the molecular formula C12H26N2O2S and a molecular weight of 262.42 g/mol. Its IUPAC name is N-[(2-methylcyclopentyl)methyl]-2-(propan-2-ylamino)ethanesulfonamide.

Molecular Properties

Compound NameN-[(2-methylcyclopentyl)methyl]-2-(propan-2-ylamino)ethanesulfonamide
PubChem CID107419516
Molecular FormulaC12H26N2O2S
Molecular Weight262.42 g/mol
Exact Mass262.17
IUPAC NameN-[(2-methylcyclopentyl)methyl]-2-(propan-2-ylamino)ethanesulfonamide
SMILESCC(C)NCCS(=O)(=O)NCC1CCCC1C
InChIInChI=1S/C12H26N2O2S/c1-10(2)13-7-8-17(15,16)14-9-12-6-4-5-11(12)3/h10-14H,4-9H2,1-3H3
InChIKeyDEPBREDNNRMJQM-UHFFFAOYSA-N
XLogP1.34
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethylsulfonyl-N-[(2-methylcyclopentyl)methyl]propan-1-amine
CID 107418219
N-[(3-methylcyclohexyl)methyl]-4-(propan-2-ylamino)butane-1-sulfonamide
CID 106090843
2-(4-aminophenoxy)-N-[(2-methylcyclopentyl)methyl]ethanesulfonamide
CID 107416496
1-ethylsulfonyl-N-[(2-methylcyclohexyl)methyl]propan-2-amine
CID 115900849
3-[2-(propan-2-ylamino)ethylsulfonylamino]cyclohexane-1-carboxylic acid
CID 169177435
N-[(2-methylcyclohexyl)methyl]-3-(propan-2-ylamino)propanamide
CID 55012121
1-(4-cyanophenyl)-N-[(2-methylcyclopentyl)methyl]methanesulfonamide
CID 107418691
N-[(2-aminocyclopentyl)methyl]-2-propan-2-yloxyethanesulfonamide
CID 79600162
2-(3-aminophenoxy)-N-[(2-methylcyclopentyl)methyl]ethanesulfonamide
CID 107416406
N-[(2-chlorocyclopentyl)methyl]-2-propan-2-yloxyethanesulfonamide
CID 79600521
1-methyl-2-[[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]methyl]cyclopentane
CID 106088303
1-cyclopentyl-N-[(2-methylcyclopentyl)methyl]ethanamine
CID 107416947

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylcyclopentyl)methyl]-2-(propan-2-ylamino)ethanesulfonamide?
The IUPAC name of N-[(2-methylcyclopentyl)methyl]-2-(propan-2-ylamino)ethanesulfonamide (CID 107419516) is N-[(2-methylcyclopentyl)methyl]-2-(propan-2-ylamino)ethanesulfonamide.
What is the SMILES notation for N-[(2-methylcyclopentyl)methyl]-2-(propan-2-ylamino)ethanesulfonamide?
The canonical SMILES for N-[(2-methylcyclopentyl)methyl]-2-(propan-2-ylamino)ethanesulfonamide is CC(C)NCCS(=O)(=O)NCC1CCCC1C.
What is the InChIKey of N-[(2-methylcyclopentyl)methyl]-2-(propan-2-ylamino)ethanesulfonamide?
The InChIKey is DEPBREDNNRMJQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2S/c1-10(2)13-7-8-17(15,16)14-9-12-6-4-5-11(12)3/h10-14H,4-9H2,1-3H3.
What are the key properties of N-[(2-methylcyclopentyl)methyl]-2-(propan-2-ylamino)ethanesulfonamide?
N-[(2-methylcyclopentyl)methyl]-2-(propan-2-ylamino)ethanesulfonamide has a molecular weight of 262.42 g/mol, XLogP of 1.34, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylcyclopentyl)methyl]-2-(propan-2-ylamino)ethanesulfonamide is sourced from PubChem (CID 107419516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).