N-[2-[(thian-3-ylamino)methyl]cyclopentyl]methanesulfonamide

C12H24N2O2S2 — CID 86787572

IUPACN-[2-[(thian-3-ylamino)methyl]cyclopentyl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCCC1CNC1CCCSC1
InChIInChI=1S/C12H24N2O2S2/c1-18(15,16)14-12-6-2-4-10(12)8-13-11-5-3-7-17-9-11/h10-14H,2-9H2,1H3
InChIKeyXZJVYNWJQAHZSH-UHFFFAOYSA-N
MW292.47 g/mol
LogP1.19
Rot. Bonds5

About N-[2-[(thian-3-ylamino)methyl]cyclopentyl]methanesulfonamide

N-[2-[(thian-3-ylamino)methyl]cyclopentyl]methanesulfonamide (PubChem CID 86787572) has the molecular formula C12H24N2O2S2 and a molecular weight of 292.47 g/mol. Its IUPAC name is N-[2-[(thian-3-ylamino)methyl]cyclopentyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[(thian-3-ylamino)methyl]cyclopentyl]methanesulfonamide
PubChem CID86787572
Molecular FormulaC12H24N2O2S2
Molecular Weight292.47 g/mol
Exact Mass292.13
IUPAC NameN-[2-[(thian-3-ylamino)methyl]cyclopentyl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCCC1CNC1CCCSC1
InChIInChI=1S/C12H24N2O2S2/c1-18(15,16)14-12-6-2-4-10(12)8-13-11-5-3-7-17-9-11/h10-14H,2-9H2,1H3
InChIKeyXZJVYNWJQAHZSH-UHFFFAOYSA-N
XLogP1.19
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(thian-3-ylamino)methyl]cyclopentyl]methanesulfonamide?
The IUPAC name of N-[2-[(thian-3-ylamino)methyl]cyclopentyl]methanesulfonamide (CID 86787572) is N-[2-[(thian-3-ylamino)methyl]cyclopentyl]methanesulfonamide.
What is the SMILES notation for N-[2-[(thian-3-ylamino)methyl]cyclopentyl]methanesulfonamide?
The canonical SMILES for N-[2-[(thian-3-ylamino)methyl]cyclopentyl]methanesulfonamide is CS(=O)(=O)NC1CCCC1CNC1CCCSC1.
What is the InChIKey of N-[2-[(thian-3-ylamino)methyl]cyclopentyl]methanesulfonamide?
The InChIKey is XZJVYNWJQAHZSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2S2/c1-18(15,16)14-12-6-2-4-10(12)8-13-11-5-3-7-17-9-11/h10-14H,2-9H2,1H3.
What are the key properties of N-[2-[(thian-3-ylamino)methyl]cyclopentyl]methanesulfonamide?
N-[2-[(thian-3-ylamino)methyl]cyclopentyl]methanesulfonamide has a molecular weight of 292.47 g/mol, XLogP of 1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(thian-3-ylamino)methyl]cyclopentyl]methanesulfonamide is sourced from PubChem (CID 86787572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).