N-[2-[(propan-2-ylamino)methyl]cyclopentyl]methanesulfonamide

C10H22N2O2S — CID 115906449

IUPACN-[2-[(propan-2-ylamino)methyl]cyclopentyl]methanesulfonamide
SMILESCC(C)NCC1CCCC1NS(C)(=O)=O
InChIInChI=1S/C10H22N2O2S/c1-8(2)11-7-9-5-4-6-10(9)12-15(3,13)14/h8-12H,4-7H2,1-3H3
InChIKeyFFDALTHSOUDDBZ-UHFFFAOYSA-N
MW234.36 g/mol
LogP0.70
Rot. Bonds5

About N-[2-[(propan-2-ylamino)methyl]cyclopentyl]methanesulfonamide

N-[2-[(propan-2-ylamino)methyl]cyclopentyl]methanesulfonamide (PubChem CID 115906449) has the molecular formula C10H22N2O2S and a molecular weight of 234.36 g/mol. Its IUPAC name is N-[2-[(propan-2-ylamino)methyl]cyclopentyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[(propan-2-ylamino)methyl]cyclopentyl]methanesulfonamide
PubChem CID115906449
Molecular FormulaC10H22N2O2S
Molecular Weight234.36 g/mol
Exact Mass234.14
IUPAC NameN-[2-[(propan-2-ylamino)methyl]cyclopentyl]methanesulfonamide
SMILESCC(C)NCC1CCCC1NS(C)(=O)=O
InChIInChI=1S/C10H22N2O2S/c1-8(2)11-7-9-5-4-6-10(9)12-15(3,13)14/h8-12H,4-7H2,1-3H3
InChIKeyFFDALTHSOUDDBZ-UHFFFAOYSA-N
XLogP0.70
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(propan-2-ylamino)methyl]cyclopentyl]methanesulfonamide?
The IUPAC name of N-[2-[(propan-2-ylamino)methyl]cyclopentyl]methanesulfonamide (CID 115906449) is N-[2-[(propan-2-ylamino)methyl]cyclopentyl]methanesulfonamide.
What is the SMILES notation for N-[2-[(propan-2-ylamino)methyl]cyclopentyl]methanesulfonamide?
The canonical SMILES for N-[2-[(propan-2-ylamino)methyl]cyclopentyl]methanesulfonamide is CC(C)NCC1CCCC1NS(C)(=O)=O.
What is the InChIKey of N-[2-[(propan-2-ylamino)methyl]cyclopentyl]methanesulfonamide?
The InChIKey is FFDALTHSOUDDBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2S/c1-8(2)11-7-9-5-4-6-10(9)12-15(3,13)14/h8-12H,4-7H2,1-3H3.
What are the key properties of N-[2-[(propan-2-ylamino)methyl]cyclopentyl]methanesulfonamide?
N-[2-[(propan-2-ylamino)methyl]cyclopentyl]methanesulfonamide has a molecular weight of 234.36 g/mol, XLogP of 0.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(propan-2-ylamino)methyl]cyclopentyl]methanesulfonamide is sourced from PubChem (CID 115906449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).