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

C12H22N2O2S3 — CID 106079565

IUPACN-(1-methylsulfanylpropan-2-yl)-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
SMILESCSCC(C)NS(=O)(=O)c1csc(CNC(C)C)c1
InChIInChI=1S/C12H22N2O2S3/c1-9(2)13-6-11-5-12(8-18-11)19(15,16)14-10(3)7-17-4/h5,8-10,13-14H,6-7H2,1-4H3
InChIKeySSICNCSDLDDJEU-UHFFFAOYSA-N
MW322.52 g/mol
LogP2.28
Rot. Bonds8

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

N-(1-methylsulfanylpropan-2-yl)-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide (PubChem CID 106079565) has the molecular formula C12H22N2O2S3 and a molecular weight of 322.52 g/mol. Its IUPAC name is N-(1-methylsulfanylpropan-2-yl)-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide.

Molecular Properties

Compound NameN-(1-methylsulfanylpropan-2-yl)-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
PubChem CID106079565
Molecular FormulaC12H22N2O2S3
Molecular Weight322.52 g/mol
Exact Mass322.08
IUPAC NameN-(1-methylsulfanylpropan-2-yl)-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
SMILESCSCC(C)NS(=O)(=O)c1csc(CNC(C)C)c1
InChIInChI=1S/C12H22N2O2S3/c1-9(2)13-6-11-5-12(8-18-11)19(15,16)14-10(3)7-17-4/h5,8-10,13-14H,6-7H2,1-4H3
InChIKeySSICNCSDLDDJEU-UHFFFAOYSA-N
XLogP2.28
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.52
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methylpentan-2-yl)-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 106028371
N-(2-methylsulfanylethyl)-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 114141304
5-(ethylaminomethyl)-N-(4-methylsulfanylbutan-2-yl)thiophene-3-sulfonamide
CID 106080295
N-(cyclobutylmethyl)-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 106024368
N-[2-(dimethylamino)propyl]-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 106017154
N-[2-[methyl(propan-2-yl)amino]ethyl]-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 106055579
5-[(propan-2-ylamino)methyl]-N-(thian-4-yl)thiophene-3-sulfonamide
CID 106084327
5-(methylaminomethyl)-N-(2-methyl-3-methylsulfanylpropyl)thiophene-3-sulfonamide
CID 114141371
N-(1-methylsulfanylpropan-2-yl)-2-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 106079555
N-(2-methyloxolan-3-yl)-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 106076143
N-(1-ethoxypropan-2-yl)-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106054219
N-(2-butoxyethyl)-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 106017515

Frequently Asked Questions

What is the IUPAC name of N-(1-methylsulfanylpropan-2-yl)-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide?
The IUPAC name of N-(1-methylsulfanylpropan-2-yl)-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide (CID 106079565) is N-(1-methylsulfanylpropan-2-yl)-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide.
What is the SMILES notation for N-(1-methylsulfanylpropan-2-yl)-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide?
The canonical SMILES for N-(1-methylsulfanylpropan-2-yl)-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide is CSCC(C)NS(=O)(=O)c1csc(CNC(C)C)c1.
What is the InChIKey of N-(1-methylsulfanylpropan-2-yl)-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide?
The InChIKey is SSICNCSDLDDJEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2S3/c1-9(2)13-6-11-5-12(8-18-11)19(15,16)14-10(3)7-17-4/h5,8-10,13-14H,6-7H2,1-4H3.
What are the key properties of N-(1-methylsulfanylpropan-2-yl)-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide?
N-(1-methylsulfanylpropan-2-yl)-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide has a molecular weight of 322.52 g/mol, XLogP of 2.28, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylsulfanylpropan-2-yl)-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide is sourced from PubChem (CID 106079565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).