4-[(cyclopropylamino)methyl]-N-(thian-3-yl)piperidine-1-sulfonamide

C14H27N3O2S2 — CID 106081549

IUPAC4-[(cyclopropylamino)methyl]-N-(thian-3-yl)piperidine-1-sulfonamide
SMILESO=S(=O)(NC1CCCSC1)N1CCC(CNC2CC2)CC1
InChIInChI=1S/C14H27N3O2S2/c18-21(19,16-14-2-1-9-20-11-14)17-7-5-12(6-8-17)10-15-13-3-4-13/h12-16H,1-11H2
InChIKeyQZBZKJXMFJEMHQ-UHFFFAOYSA-N
MW333.52 g/mol
LogP1.18
Rot. Bonds6

About 4-[(cyclopropylamino)methyl]-N-(thian-3-yl)piperidine-1-sulfonamide

4-[(cyclopropylamino)methyl]-N-(thian-3-yl)piperidine-1-sulfonamide (PubChem CID 106081549) has the molecular formula C14H27N3O2S2 and a molecular weight of 333.52 g/mol. Its IUPAC name is 4-[(cyclopropylamino)methyl]-N-(thian-3-yl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name4-[(cyclopropylamino)methyl]-N-(thian-3-yl)piperidine-1-sulfonamide
PubChem CID106081549
Molecular FormulaC14H27N3O2S2
Molecular Weight333.52 g/mol
Exact Mass333.15
IUPAC Name4-[(cyclopropylamino)methyl]-N-(thian-3-yl)piperidine-1-sulfonamide
SMILESO=S(=O)(NC1CCCSC1)N1CCC(CNC2CC2)CC1
InChIInChI=1S/C14H27N3O2S2/c18-21(19,16-14-2-1-9-20-11-14)17-7-5-12(6-8-17)10-15-13-3-4-13/h12-16H,1-11H2
InChIKeyQZBZKJXMFJEMHQ-UHFFFAOYSA-N
XLogP1.18
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.52
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[(cyclopropylamino)methyl]-N-(thian-3-yl)piperidine-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[1-(azepan-1-ylsulfonyl)piperidin-4-yl]methyl]cyclopropanamine
CID 63855301
4-[(cyclopropylamino)methyl]-N-(4-methylpentan-2-yl)piperidine-1-sulfonamide
CID 106028741
thian-3-ylsulfamic acid
CID 14594130
N-cyclopropyl-4-(ethylamino)piperidine-1-sulfonamide
CID 114803095
4-[(cyclopropylamino)methyl]-N-(2,2-dimethylbutyl)piperidine-1-sulfonamide
CID 103466066
N-cyclopropylpyrrolidine-1-sulfonamide
CID 60723889
2-(propylaminomethyl)-N-(thian-3-yl)piperidine-1-sulfonamide
CID 106081477
N-(cyclopentylmethyl)-1-ethylsulfonylpiperidin-4-amine
CID 62069812
4-[(cyclopropylamino)methyl]-N-(4-methylpentyl)piperidine-1-sulfonamide
CID 106017048
N-(thian-3-yl)benzenesulfonamide
CID 115675274
N-[[1-(2-methylpiperidin-1-yl)sulfonylpiperidin-4-yl]methyl]cyclopropanamine
CID 63855296
4-[(cyclopropylamino)methyl]-N-[2-[ethyl(methyl)amino]ethyl]piperidine-1-sulfonamide
CID 106055915

Frequently Asked Questions

What is the IUPAC name of 4-[(cyclopropylamino)methyl]-N-(thian-3-yl)piperidine-1-sulfonamide?
The IUPAC name of 4-[(cyclopropylamino)methyl]-N-(thian-3-yl)piperidine-1-sulfonamide (CID 106081549) is 4-[(cyclopropylamino)methyl]-N-(thian-3-yl)piperidine-1-sulfonamide.
What is the SMILES notation for 4-[(cyclopropylamino)methyl]-N-(thian-3-yl)piperidine-1-sulfonamide?
The canonical SMILES for 4-[(cyclopropylamino)methyl]-N-(thian-3-yl)piperidine-1-sulfonamide is O=S(=O)(NC1CCCSC1)N1CCC(CNC2CC2)CC1.
What is the InChIKey of 4-[(cyclopropylamino)methyl]-N-(thian-3-yl)piperidine-1-sulfonamide?
The InChIKey is QZBZKJXMFJEMHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2S2/c18-21(19,16-14-2-1-9-20-11-14)17-7-5-12(6-8-17)10-15-13-3-4-13/h12-16H,1-11H2.
What are the key properties of 4-[(cyclopropylamino)methyl]-N-(thian-3-yl)piperidine-1-sulfonamide?
4-[(cyclopropylamino)methyl]-N-(thian-3-yl)piperidine-1-sulfonamide has a molecular weight of 333.52 g/mol, XLogP of 1.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(cyclopropylamino)methyl]-N-(thian-3-yl)piperidine-1-sulfonamide is sourced from PubChem (CID 106081549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).