N-[2-[[(1S,2S)-2,4,4-trimethylcyclopentyl]amino]ethyl]methanesulfonamide

C11H24N2O2S — CID 99836162

IUPACN-[2-[[(1S,2S)-2,4,4-trimethylcyclopentyl]amino]ethyl]methanesulfonamide
SMILESC[C@H]1CC(C)(C)C[C@@H]1NCCNS(C)(=O)=O
InChIInChI=1S/C11H24N2O2S/c1-9-7-11(2,3)8-10(9)12-5-6-13-16(4,14)15/h9-10,12-13H,5-8H2,1-4H3/t9-,10-/m0/s1
InChIKeyQCJNFUMGXVDQNH-UWVGGRQHSA-N
MW248.39 g/mol
LogP0.95
Rot. Bonds5

About N-[2-[[(1S,2S)-2,4,4-trimethylcyclopentyl]amino]ethyl]methanesulfonamide

N-[2-[[(1S,2S)-2,4,4-trimethylcyclopentyl]amino]ethyl]methanesulfonamide (PubChem CID 99836162) has the molecular formula C11H24N2O2S and a molecular weight of 248.39 g/mol. Its IUPAC name is N-[2-[[(1S,2S)-2,4,4-trimethylcyclopentyl]amino]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[[(1S,2S)-2,4,4-trimethylcyclopentyl]amino]ethyl]methanesulfonamide
PubChem CID99836162
Molecular FormulaC11H24N2O2S
Molecular Weight248.39 g/mol
Exact Mass248.16
IUPAC NameN-[2-[[(1S,2S)-2,4,4-trimethylcyclopentyl]amino]ethyl]methanesulfonamide
SMILESC[C@H]1CC(C)(C)C[C@@H]1NCCNS(C)(=O)=O
InChIInChI=1S/C11H24N2O2S/c1-9-7-11(2,3)8-10(9)12-5-6-13-16(4,14)15/h9-10,12-13H,5-8H2,1-4H3/t9-,10-/m0/s1
InChIKeyQCJNFUMGXVDQNH-UWVGGRQHSA-N
XLogP0.95
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(2,4,4-trimethylcyclopentyl)amino]ethyl]benzenesulfonamide
CID 154739109
N-propan-2-yl-2-[[(1R,2S)-2,4,4-trimethylcyclopentyl]amino]ethanesulfonamide
CID 99838091
3-[(2,4,4-trimethylcyclopentyl)amino]propanoic acid
CID 106661765
2,4,4-trimethyl-N-(3-methylbutyl)cyclopentan-1-amine
CID 106661565
cis-(1R,2S)-2,4,4-trimethyl-N-[(1-methylsulfonylpiperidin-4-yl)methyl]cyclopentan-1-amine
CID 99838080
2,4,4-trimethyl-N-(3-methylsulfinylpropyl)cyclopentan-1-amine
CID 106662803
6-[(2,4,4-trimethylcyclopentyl)amino]hexan-1-ol
CID 106813241
N'-ethyl-N'-methyl-N-(2,4,4-trimethylcyclopentyl)ethane-1,2-diamine
CID 106662472
N'-methyl-N'-propan-2-yl-N-(2,4,4-trimethylcyclopentyl)butane-1,4-diamine
CID 106662443
N-[2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]ethyl]methanesulfonamide
CID 106658151
2,4,4-trimethyl-N-(2-methylcyclopropyl)cyclopentan-1-amine
CID 106662465
2-[(2,4,4-trimethylcyclohexyl)amino]ethanesulfonamide
CID 81320465

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(1S,2S)-2,4,4-trimethylcyclopentyl]amino]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[[(1S,2S)-2,4,4-trimethylcyclopentyl]amino]ethyl]methanesulfonamide (CID 99836162) is N-[2-[[(1S,2S)-2,4,4-trimethylcyclopentyl]amino]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[[(1S,2S)-2,4,4-trimethylcyclopentyl]amino]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[[(1S,2S)-2,4,4-trimethylcyclopentyl]amino]ethyl]methanesulfonamide is C[C@H]1CC(C)(C)C[C@@H]1NCCNS(C)(=O)=O.
What is the InChIKey of N-[2-[[(1S,2S)-2,4,4-trimethylcyclopentyl]amino]ethyl]methanesulfonamide?
The InChIKey is QCJNFUMGXVDQNH-UWVGGRQHSA-N. The full InChI is InChI=1S/C11H24N2O2S/c1-9-7-11(2,3)8-10(9)12-5-6-13-16(4,14)15/h9-10,12-13H,5-8H2,1-4H3/t9-,10-/m0/s1.
What are the key properties of N-[2-[[(1S,2S)-2,4,4-trimethylcyclopentyl]amino]ethyl]methanesulfonamide?
N-[2-[[(1S,2S)-2,4,4-trimethylcyclopentyl]amino]ethyl]methanesulfonamide has a molecular weight of 248.39 g/mol, XLogP of 0.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(1S,2S)-2,4,4-trimethylcyclopentyl]amino]ethyl]methanesulfonamide is sourced from PubChem (CID 99836162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).