5-[(cyclopropylamino)methyl]-4-methyl-N-(thiolan-2-ylmethyl)thiophene-2-sulfonamide

C14H22N2O2S3 — CID 106071767

IUPAC5-[(cyclopropylamino)methyl]-4-methyl-N-(thiolan-2-ylmethyl)thiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)NCC2CCCS2)sc1CNC1CC1
InChIInChI=1S/C14H22N2O2S3/c1-10-7-14(20-13(10)9-15-11-4-5-11)21(17,18)16-8-12-3-2-6-19-12/h7,11-12,15-16H,2-6,8-9H2,1H3
InChIKeyWBRYWTWALYRNKH-UHFFFAOYSA-N
MW346.54 g/mol
LogP2.48
Rot. Bonds7

About 5-[(cyclopropylamino)methyl]-4-methyl-N-(thiolan-2-ylmethyl)thiophene-2-sulfonamide

5-[(cyclopropylamino)methyl]-4-methyl-N-(thiolan-2-ylmethyl)thiophene-2-sulfonamide (PubChem CID 106071767) has the molecular formula C14H22N2O2S3 and a molecular weight of 346.54 g/mol. Its IUPAC name is 5-[(cyclopropylamino)methyl]-4-methyl-N-(thiolan-2-ylmethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-[(cyclopropylamino)methyl]-4-methyl-N-(thiolan-2-ylmethyl)thiophene-2-sulfonamide
PubChem CID106071767
Molecular FormulaC14H22N2O2S3
Molecular Weight346.54 g/mol
Exact Mass346.08
IUPAC Name5-[(cyclopropylamino)methyl]-4-methyl-N-(thiolan-2-ylmethyl)thiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)NCC2CCCS2)sc1CNC1CC1
InChIInChI=1S/C14H22N2O2S3/c1-10-7-14(20-13(10)9-15-11-4-5-11)21(17,18)16-8-12-3-2-6-19-12/h7,11-12,15-16H,2-6,8-9H2,1H3
InChIKeyWBRYWTWALYRNKH-UHFFFAOYSA-N
XLogP2.48
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.54
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(aminomethyl)-4-methyl-N-(thian-2-ylmethyl)thiophene-2-sulfonamide
CID 106072242
5-[(cyclopropylamino)methyl]-N-(2,2-dimethylbutyl)-4-methylthiophene-2-sulfonamide
CID 103466078
4-[(cyclopropylamino)methyl]-N-(thiolan-2-ylmethyl)thiophene-2-sulfonamide
CID 106071701
5-[(cyclopropylamino)methyl]-N-(4-methoxybutyl)-4-methylthiophene-2-sulfonamide
CID 106054144
5-[(cyclopropylamino)methyl]-4-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)thiophene-2-sulfonamide
CID 106013527
5-[(cyclopropylamino)methyl]-N-(1-ethoxypropan-2-yl)-4-methylthiophene-2-sulfonamide
CID 106054395
N-[[5-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-3-methylthiophen-2-yl]methyl]cyclopropanamine
CID 79180236
2,3-dimethyl-5-(methylaminomethyl)-N-(thiolan-2-ylmethyl)benzenesulfonamide
CID 106071667
N-[[3-methyl-5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]thiophen-2-yl]methyl]cyclopropanamine
CID 106317127
4-methyl-5-(methylaminomethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]thiophene-2-sulfonamide
CID 106094784
5-(aminomethyl)-2,3-dimethyl-N-(thiolan-2-ylmethyl)benzenesulfonamide
CID 106071705
2-bromo-5-(propylaminomethyl)-N-(thiolan-2-ylmethyl)thiophene-3-sulfonamide
CID 106071616

Frequently Asked Questions

What is the IUPAC name of 5-[(cyclopropylamino)methyl]-4-methyl-N-(thiolan-2-ylmethyl)thiophene-2-sulfonamide?
The IUPAC name of 5-[(cyclopropylamino)methyl]-4-methyl-N-(thiolan-2-ylmethyl)thiophene-2-sulfonamide (CID 106071767) is 5-[(cyclopropylamino)methyl]-4-methyl-N-(thiolan-2-ylmethyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-[(cyclopropylamino)methyl]-4-methyl-N-(thiolan-2-ylmethyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-[(cyclopropylamino)methyl]-4-methyl-N-(thiolan-2-ylmethyl)thiophene-2-sulfonamide is Cc1cc(S(=O)(=O)NCC2CCCS2)sc1CNC1CC1.
What is the InChIKey of 5-[(cyclopropylamino)methyl]-4-methyl-N-(thiolan-2-ylmethyl)thiophene-2-sulfonamide?
The InChIKey is WBRYWTWALYRNKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S3/c1-10-7-14(20-13(10)9-15-11-4-5-11)21(17,18)16-8-12-3-2-6-19-12/h7,11-12,15-16H,2-6,8-9H2,1H3.
What are the key properties of 5-[(cyclopropylamino)methyl]-4-methyl-N-(thiolan-2-ylmethyl)thiophene-2-sulfonamide?
5-[(cyclopropylamino)methyl]-4-methyl-N-(thiolan-2-ylmethyl)thiophene-2-sulfonamide has a molecular weight of 346.54 g/mol, XLogP of 2.48, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(cyclopropylamino)methyl]-4-methyl-N-(thiolan-2-ylmethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 106071767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).