N-[(3-aminocyclopentyl)methyl]-2-methylsulfonylethanesulfonamide

C9H20N2O4S2 — CID 114146780

IUPACN-[(3-aminocyclopentyl)methyl]-2-methylsulfonylethanesulfonamide
SMILESCS(=O)(=O)CCS(=O)(=O)NCC1CCC(N)C1
InChIInChI=1S/C9H20N2O4S2/c1-16(12,13)4-5-17(14,15)11-7-8-2-3-9(10)6-8/h8-9,11H,2-7,10H2,1H3
InChIKeyBMUVQNHHDYFWBH-UHFFFAOYSA-N
MW284.40 g/mol
LogP-0.92
Rot. Bonds6

About N-[(3-aminocyclopentyl)methyl]-2-methylsulfonylethanesulfonamide

N-[(3-aminocyclopentyl)methyl]-2-methylsulfonylethanesulfonamide (PubChem CID 114146780) has the molecular formula C9H20N2O4S2 and a molecular weight of 284.40 g/mol. Its IUPAC name is N-[(3-aminocyclopentyl)methyl]-2-methylsulfonylethanesulfonamide.

Molecular Properties

Compound NameN-[(3-aminocyclopentyl)methyl]-2-methylsulfonylethanesulfonamide
PubChem CID114146780
Molecular FormulaC9H20N2O4S2
Molecular Weight284.40 g/mol
Exact Mass284.09
IUPAC NameN-[(3-aminocyclopentyl)methyl]-2-methylsulfonylethanesulfonamide
SMILESCS(=O)(=O)CCS(=O)(=O)NCC1CCC(N)C1
InChIInChI=1S/C9H20N2O4S2/c1-16(12,13)4-5-17(14,15)11-7-8-2-3-9(10)6-8/h8-9,11H,2-7,10H2,1H3
InChIKeyBMUVQNHHDYFWBH-UHFFFAOYSA-N
XLogP-0.92
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 5-0.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-aminocyclopentyl)methyl]-3-methylbutane-1-sulfonamide
CID 106125438
2-methylsulfonyl-N-(piperidin-4-ylmethyl)ethanesulfonamide
CID 63245223
N-[(3-aminocyclopentyl)methyl]-2-phenylethanesulfonamide
CID 106125625
N-[(3-aminocyclohexyl)methyl]-2-ethoxyethanesulfonamide
CID 114146871
N-[(3-aminocyclohexyl)methyl]-2-propan-2-yloxyethanesulfonamide
CID 114146872
N-[(4-aminocyclohexyl)methyl]methanesulfonamide;hydrochloride
CID 162624935
N-[(3-aminocyclopentyl)methyl]-1-(oxolan-2-yl)methanesulfonamide
CID 114146773
N-[(3-aminocyclobutyl)methyl]methanesulfonamide
CID 66005835
3-amino-N-(cyclopropylmethyl)propane-1-sulfonamide
CID 60909819
N-[(2-hydroxycyclohexyl)methyl]-2-methylsulfonylethanesulfonamide
CID 64911395
N-[(3-aminocyclopentyl)methyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 114146770
2-methylsulfonyl-N-(piperidin-2-ylmethyl)ethanesulfonamide
CID 63245222

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminocyclopentyl)methyl]-2-methylsulfonylethanesulfonamide?
The IUPAC name of N-[(3-aminocyclopentyl)methyl]-2-methylsulfonylethanesulfonamide (CID 114146780) is N-[(3-aminocyclopentyl)methyl]-2-methylsulfonylethanesulfonamide.
What is the SMILES notation for N-[(3-aminocyclopentyl)methyl]-2-methylsulfonylethanesulfonamide?
The canonical SMILES for N-[(3-aminocyclopentyl)methyl]-2-methylsulfonylethanesulfonamide is CS(=O)(=O)CCS(=O)(=O)NCC1CCC(N)C1.
What is the InChIKey of N-[(3-aminocyclopentyl)methyl]-2-methylsulfonylethanesulfonamide?
The InChIKey is BMUVQNHHDYFWBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O4S2/c1-16(12,13)4-5-17(14,15)11-7-8-2-3-9(10)6-8/h8-9,11H,2-7,10H2,1H3.
What are the key properties of N-[(3-aminocyclopentyl)methyl]-2-methylsulfonylethanesulfonamide?
N-[(3-aminocyclopentyl)methyl]-2-methylsulfonylethanesulfonamide has a molecular weight of 284.40 g/mol, XLogP of -0.92, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminocyclopentyl)methyl]-2-methylsulfonylethanesulfonamide is sourced from PubChem (CID 114146780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).