2-[(cyclopropylamino)methyl]-N-(thiolan-3-ylmethyl)piperidine-1-sulfonamide

C14H27N3O2S2 — CID 106088999

IUPAC2-[(cyclopropylamino)methyl]-N-(thiolan-3-ylmethyl)piperidine-1-sulfonamide
SMILESO=S(=O)(NCC1CCSC1)N1CCCCC1CNC1CC1
InChIInChI=1S/C14H27N3O2S2/c18-21(19,16-9-12-6-8-20-11-12)17-7-2-1-3-14(17)10-15-13-4-5-13/h12-16H,1-11H2
InChIKeyMRSPQLKLLJJGEP-UHFFFAOYSA-N
MW333.52 g/mol
LogP1.18
Rot. Bonds7

About 2-[(cyclopropylamino)methyl]-N-(thiolan-3-ylmethyl)piperidine-1-sulfonamide

2-[(cyclopropylamino)methyl]-N-(thiolan-3-ylmethyl)piperidine-1-sulfonamide (PubChem CID 106088999) has the molecular formula C14H27N3O2S2 and a molecular weight of 333.52 g/mol. Its IUPAC name is 2-[(cyclopropylamino)methyl]-N-(thiolan-3-ylmethyl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name2-[(cyclopropylamino)methyl]-N-(thiolan-3-ylmethyl)piperidine-1-sulfonamide
PubChem CID106088999
Molecular FormulaC14H27N3O2S2
Molecular Weight333.52 g/mol
Exact Mass333.15
IUPAC Name2-[(cyclopropylamino)methyl]-N-(thiolan-3-ylmethyl)piperidine-1-sulfonamide
SMILESO=S(=O)(NCC1CCSC1)N1CCCCC1CNC1CC1
InChIInChI=1S/C14H27N3O2S2/c18-21(19,16-9-12-6-8-20-11-12)17-7-2-1-3-14(17)10-15-13-4-5-13/h12-16H,1-11H2
InChIKeyMRSPQLKLLJJGEP-UHFFFAOYSA-N
XLogP1.18
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
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 2-[(cyclopropylamino)methyl]-N-(thiolan-3-ylmethyl)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

2-[(cyclopropylamino)methyl]-N-[2-(dimethylamino)ethyl]piperidine-1-sulfonamide
CID 106032299
N-(cyclopentylmethyl)-2-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide
CID 106027123
N-[[1-(difluoromethylsulfonyl)piperidin-2-yl]methyl]cyclopropanamine
CID 63878433
2-[(cyclopropylamino)methyl]-N-[1-(dimethylamino)propan-2-yl]piperidine-1-sulfonamide
CID 106074286
1-(cyclopropylamino)-N-(thiolan-3-ylmethyl)propane-2-sulfonamide
CID 106089017
2-[(cyclopropylamino)methyl]-N-(4-methylsulfanylbutan-2-yl)piperidine-1-sulfonamide
CID 106080127
2-(propylaminomethyl)-N-(thian-3-yl)piperidine-1-sulfonamide
CID 106081477
2-(ethylaminomethyl)-N-(thian-2-ylmethyl)piperidine-1-sulfonamide
CID 106072179
4-(thiolan-3-ylmethylamino)cyclohexan-1-ol
CID 107131200
4-[(cyclopropylamino)methyl]-N-(thian-3-yl)piperidine-1-sulfonamide
CID 106081549
1-(cyclopentylmethylsulfamoyl)piperidine-2-carboxylic acid
CID 60857626
N-(cyclopropylmethyl)-1-(thiolan-3-ylmethyl)piperidin-4-amine;hydrochloride
CID 120841663

Frequently Asked Questions

What is the IUPAC name of 2-[(cyclopropylamino)methyl]-N-(thiolan-3-ylmethyl)piperidine-1-sulfonamide?
The IUPAC name of 2-[(cyclopropylamino)methyl]-N-(thiolan-3-ylmethyl)piperidine-1-sulfonamide (CID 106088999) is 2-[(cyclopropylamino)methyl]-N-(thiolan-3-ylmethyl)piperidine-1-sulfonamide.
What is the SMILES notation for 2-[(cyclopropylamino)methyl]-N-(thiolan-3-ylmethyl)piperidine-1-sulfonamide?
The canonical SMILES for 2-[(cyclopropylamino)methyl]-N-(thiolan-3-ylmethyl)piperidine-1-sulfonamide is O=S(=O)(NCC1CCSC1)N1CCCCC1CNC1CC1.
What is the InChIKey of 2-[(cyclopropylamino)methyl]-N-(thiolan-3-ylmethyl)piperidine-1-sulfonamide?
The InChIKey is MRSPQLKLLJJGEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2S2/c18-21(19,16-9-12-6-8-20-11-12)17-7-2-1-3-14(17)10-15-13-4-5-13/h12-16H,1-11H2.
What are the key properties of 2-[(cyclopropylamino)methyl]-N-(thiolan-3-ylmethyl)piperidine-1-sulfonamide?
2-[(cyclopropylamino)methyl]-N-(thiolan-3-ylmethyl)piperidine-1-sulfonamide has a molecular weight of 333.52 g/mol, XLogP of 1.18, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(cyclopropylamino)methyl]-N-(thiolan-3-ylmethyl)piperidine-1-sulfonamide is sourced from PubChem (CID 106088999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).