N,4-dimethyl-N-(3-methylbutyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide

C15H28N2O2S2 — CID 102752389

IUPACN,4-dimethyl-N-(3-methylbutyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
SMILESCc1csc(CNC(C)C)c1S(=O)(=O)N(C)CCC(C)C
InChIInChI=1S/C15H28N2O2S2/c1-11(2)7-8-17(6)21(18,19)15-13(5)10-20-14(15)9-16-12(3)4/h10-12,16H,7-9H2,1-6H3
InChIKeyHEYCQDCFJFVSRA-UHFFFAOYSA-N
MW332.54 g/mol
LogP3.22
Rot. Bonds8

About N,4-dimethyl-N-(3-methylbutyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide

N,4-dimethyl-N-(3-methylbutyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide (PubChem CID 102752389) has the molecular formula C15H28N2O2S2 and a molecular weight of 332.54 g/mol. Its IUPAC name is N,4-dimethyl-N-(3-methylbutyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide.

Molecular Properties

Compound NameN,4-dimethyl-N-(3-methylbutyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
PubChem CID102752389
Molecular FormulaC15H28N2O2S2
Molecular Weight332.54 g/mol
Exact Mass332.16
IUPAC NameN,4-dimethyl-N-(3-methylbutyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
SMILESCc1csc(CNC(C)C)c1S(=O)(=O)N(C)CCC(C)C
InChIInChI=1S/C15H28N2O2S2/c1-11(2)7-8-17(6)21(18,19)15-13(5)10-20-14(15)9-16-12(3)4/h10-12,16H,7-9H2,1-6H3
InChIKeyHEYCQDCFJFVSRA-UHFFFAOYSA-N
XLogP3.22
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.54
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-4-methyl-N-propan-2-yl-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 102751342
N-(1-cyclopropylethyl)-N,4-dimethyl-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 102751637
N,4-dimethyl-2-[(propan-2-ylamino)methyl]-N-(thiolan-3-yl)thiophene-3-sulfonamide
CID 102751502
N-methyl-N-(3-methylbutyl)-4-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 61428753
N-cyclopropyl-4-methyl-2-[(propan-2-ylamino)methyl]-N-prop-2-enylthiophene-3-sulfonamide
CID 102754612
N-(3,3-dimethylbutan-2-yl)-4-methyl-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 106079151
2-(hydroxymethyl)-N,4-dimethyl-N-(2-propan-2-yloxyethyl)thiophene-3-sulfonamide
CID 102750178
N-(2-methoxypropyl)-4-methyl-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 102755152
N-cyclohexyl-4-methyl-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 102751897
4-hydrazinyl-N,2,6-trimethyl-N-(3-methylbutyl)benzenesulfonamide
CID 107327900
2-[(cyclopropylamino)methyl]-N,4-dimethyl-N-(2-methylsulfanylethyl)thiophene-3-sulfonamide
CID 102754693
N,4-dimethyl-2-(methylaminomethyl)-N-(2-thiophen-2-ylethyl)thiophene-3-sulfonamide
CID 102754325

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-(3-methylbutyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide?
The IUPAC name of N,4-dimethyl-N-(3-methylbutyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide (CID 102752389) is N,4-dimethyl-N-(3-methylbutyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide.
What is the SMILES notation for N,4-dimethyl-N-(3-methylbutyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide?
The canonical SMILES for N,4-dimethyl-N-(3-methylbutyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide is Cc1csc(CNC(C)C)c1S(=O)(=O)N(C)CCC(C)C.
What is the InChIKey of N,4-dimethyl-N-(3-methylbutyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide?
The InChIKey is HEYCQDCFJFVSRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2S2/c1-11(2)7-8-17(6)21(18,19)15-13(5)10-20-14(15)9-16-12(3)4/h10-12,16H,7-9H2,1-6H3.
What are the key properties of N,4-dimethyl-N-(3-methylbutyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide?
N,4-dimethyl-N-(3-methylbutyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide has a molecular weight of 332.54 g/mol, XLogP of 3.22, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-(3-methylbutyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide is sourced from PubChem (CID 102752389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).