N-ethyl-4-methyl-N-propan-2-yl-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide

C14H26N2O2S2 — CID 102751342

IUPACN-ethyl-4-methyl-N-propan-2-yl-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
SMILESCCN(C(C)C)S(=O)(=O)c1c(C)csc1CNC(C)C
InChIInChI=1S/C14H26N2O2S2/c1-7-16(11(4)5)20(17,18)14-12(6)9-19-13(14)8-15-10(2)3/h9-11,15H,7-8H2,1-6H3
InChIKeyJJPMFSPGPASMEX-UHFFFAOYSA-N
MW318.51 g/mol
LogP2.97
Rot. Bonds7

About N-ethyl-4-methyl-N-propan-2-yl-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide

N-ethyl-4-methyl-N-propan-2-yl-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide (PubChem CID 102751342) has the molecular formula C14H26N2O2S2 and a molecular weight of 318.51 g/mol. Its IUPAC name is N-ethyl-4-methyl-N-propan-2-yl-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide.

Molecular Properties

Compound NameN-ethyl-4-methyl-N-propan-2-yl-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
PubChem CID102751342
Molecular FormulaC14H26N2O2S2
Molecular Weight318.51 g/mol
Exact Mass318.14
IUPAC NameN-ethyl-4-methyl-N-propan-2-yl-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
SMILESCCN(C(C)C)S(=O)(=O)c1c(C)csc1CNC(C)C
InChIInChI=1S/C14H26N2O2S2/c1-7-16(11(4)5)20(17,18)14-12(6)9-19-13(14)8-15-10(2)3/h9-11,15H,7-8H2,1-6H3
InChIKeyJJPMFSPGPASMEX-UHFFFAOYSA-N
XLogP2.97
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.51
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1-Butylamino-ethyl)-thiophene-2-sulfonic acid amide
CID 10038370
4-[3-[(Propan-2-ylamino)methyl]phenyl]sulfonylthiophene-2-sulfonamide;hydrochloride
CID 45261768
4-[3-[(Butan-2-ylamino)methyl]phenyl]sulfonylthiophene-2-sulfonamide;hydrochloride
CID 45261845
N-methyl-3-[1-(thiophen-3-ylmethylamino)ethyl]benzenesulfonamide
CID 56824136
N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]-1-(3-methylthiophen-2-yl)ethanamine
CID 75515455
N-[1-(5-ethyl-4-methylthiophen-2-yl)ethyl]-1-methylsulfonylpropan-2-amine
CID 75515782
N-methyl-2-[[[(1S)-1-(5-methylthiophen-2-yl)ethyl]amino]methyl]benzenesulfonamide
CID 97231696
N-[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]-2-pyrrolidin-1-ylethanesulfonamide
CID 129400273
Thiophene-2-sulfonamide,4-(3-S-butylaminomethyl)
CID 9977592
Thiophene-2-sulfonamide,4-(I-propylaminomethyl)P
CID 10317299
N,4-dimethyl-5-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
CID 65772054
5-[(cyclopropylamino)methyl]-N,4-dimethyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
CID 65772056

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-N-propan-2-yl-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide?
The IUPAC name of N-ethyl-4-methyl-N-propan-2-yl-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide (CID 102751342) is N-ethyl-4-methyl-N-propan-2-yl-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide.
What is the SMILES notation for N-ethyl-4-methyl-N-propan-2-yl-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide?
The canonical SMILES for N-ethyl-4-methyl-N-propan-2-yl-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide is CCN(C(C)C)S(=O)(=O)c1c(C)csc1CNC(C)C.
What is the InChIKey of N-ethyl-4-methyl-N-propan-2-yl-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide?
The InChIKey is JJPMFSPGPASMEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2S2/c1-7-16(11(4)5)20(17,18)14-12(6)9-19-13(14)8-15-10(2)3/h9-11,15H,7-8H2,1-6H3.
What are the key properties of N-ethyl-4-methyl-N-propan-2-yl-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide?
N-ethyl-4-methyl-N-propan-2-yl-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide has a molecular weight of 318.51 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-N-propan-2-yl-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide is sourced from PubChem (CID 102751342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).