2-methyl-N-piperidin-1-yl-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide

C14H25N3O2S2 — CID 106075307

IUPAC2-methyl-N-piperidin-1-yl-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
SMILESCc1sc(CNC(C)C)cc1S(=O)(=O)NN1CCCCC1
InChIInChI=1S/C14H25N3O2S2/c1-11(2)15-10-13-9-14(12(3)20-13)21(18,19)16-17-7-5-4-6-8-17/h9,11,15-16H,4-8,10H2,1-3H3
InChIKeyGPZVJXYNLCGFOC-UHFFFAOYSA-N
MW331.51 g/mol
LogP2.23
Rot. Bonds6

About 2-methyl-N-piperidin-1-yl-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide

2-methyl-N-piperidin-1-yl-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide (PubChem CID 106075307) has the molecular formula C14H25N3O2S2 and a molecular weight of 331.51 g/mol. Its IUPAC name is 2-methyl-N-piperidin-1-yl-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-piperidin-1-yl-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
PubChem CID106075307
Molecular FormulaC14H25N3O2S2
Molecular Weight331.51 g/mol
Exact Mass331.14
IUPAC Name2-methyl-N-piperidin-1-yl-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
SMILESCc1sc(CNC(C)C)cc1S(=O)(=O)NN1CCCCC1
InChIInChI=1S/C14H25N3O2S2/c1-11(2)15-10-13-9-14(12(3)20-13)21(18,19)16-17-7-5-4-6-8-17/h9,11,15-16H,4-8,10H2,1-3H3
InChIKeyGPZVJXYNLCGFOC-UHFFFAOYSA-N
XLogP2.23
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.51
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-(3-methylpentan-2-yl)-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 106053785
N-(1-methoxy-2-methylpropan-2-yl)-2-methyl-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 106080646
2-methyl-5-[(propan-2-ylamino)methyl]-N-(2-propan-2-yloxyethyl)thiophene-3-sulfonamide
CID 106077528
2-methyl-N-(2-methyloxolan-3-yl)-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 106076237
2-methyl-5-[(propan-2-ylamino)methyl]-N-(1,3-thiazol-2-yl)thiophene-3-sulfonamide
CID 106031780
N-piperidin-1-yl-5-[(propan-2-ylamino)methyl]furan-2-sulfonamide
CID 83024047
5-(aminomethyl)-2-methyl-N-(2-piperidin-1-ylpropyl)thiophene-3-sulfonamide
CID 106015870
N-[(4,5-dimethylthiophen-2-yl)methyl]propan-2-amine
CID 59237373
2-bromo-N-(3-methylbutan-2-yl)-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 106029847
2-amino-4,5-dimethyl-N-piperidin-1-ylbenzenesulfonamide
CID 83012282
2-bromo-N-(3-methylpentan-3-yl)-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 106331861
2-bromo-5-(methylaminomethyl)-N-piperidin-1-ylfuran-3-sulfonamide
CID 106075338

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-piperidin-1-yl-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide?
The IUPAC name of 2-methyl-N-piperidin-1-yl-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide (CID 106075307) is 2-methyl-N-piperidin-1-yl-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide.
What is the SMILES notation for 2-methyl-N-piperidin-1-yl-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide?
The canonical SMILES for 2-methyl-N-piperidin-1-yl-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide is Cc1sc(CNC(C)C)cc1S(=O)(=O)NN1CCCCC1.
What is the InChIKey of 2-methyl-N-piperidin-1-yl-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide?
The InChIKey is GPZVJXYNLCGFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2S2/c1-11(2)15-10-13-9-14(12(3)20-13)21(18,19)16-17-7-5-4-6-8-17/h9,11,15-16H,4-8,10H2,1-3H3.
What are the key properties of 2-methyl-N-piperidin-1-yl-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide?
2-methyl-N-piperidin-1-yl-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide has a molecular weight of 331.51 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-piperidin-1-yl-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide is sourced from PubChem (CID 106075307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).