N-cyclopropyl-4-methyl-2-[(propan-2-ylamino)methyl]-N-prop-2-enylthiophene-3-sulfonamide

C15H24N2O2S2 — CID 102754612

IUPACN-cyclopropyl-4-methyl-2-[(propan-2-ylamino)methyl]-N-prop-2-enylthiophene-3-sulfonamide
SMILESC=CCN(C1CC1)S(=O)(=O)c1c(C)csc1CNC(C)C
InChIInChI=1S/C15H24N2O2S2/c1-5-8-17(13-6-7-13)21(18,19)15-12(4)10-20-14(15)9-16-11(2)3/h5,10-11,13,16H,1,6-9H2,2-4H3
InChIKeyDPBSDSNPWSMNPS-UHFFFAOYSA-N
MW328.50 g/mol
LogP2.89
Rot. Bonds8

About N-cyclopropyl-4-methyl-2-[(propan-2-ylamino)methyl]-N-prop-2-enylthiophene-3-sulfonamide

N-cyclopropyl-4-methyl-2-[(propan-2-ylamino)methyl]-N-prop-2-enylthiophene-3-sulfonamide (PubChem CID 102754612) has the molecular formula C15H24N2O2S2 and a molecular weight of 328.50 g/mol. Its IUPAC name is N-cyclopropyl-4-methyl-2-[(propan-2-ylamino)methyl]-N-prop-2-enylthiophene-3-sulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-4-methyl-2-[(propan-2-ylamino)methyl]-N-prop-2-enylthiophene-3-sulfonamide
PubChem CID102754612
Molecular FormulaC15H24N2O2S2
Molecular Weight328.50 g/mol
Exact Mass328.13
IUPAC NameN-cyclopropyl-4-methyl-2-[(propan-2-ylamino)methyl]-N-prop-2-enylthiophene-3-sulfonamide
SMILESC=CCN(C1CC1)S(=O)(=O)c1c(C)csc1CNC(C)C
InChIInChI=1S/C15H24N2O2S2/c1-5-8-17(13-6-7-13)21(18,19)15-12(4)10-20-14(15)9-16-11(2)3/h5,10-11,13,16H,1,6-9H2,2-4H3
InChIKeyDPBSDSNPWSMNPS-UHFFFAOYSA-N
XLogP2.89
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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-ethyl-4-methyl-N-propan-2-yl-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 102751342
N-cyclopropyl-N-ethyl-2-(ethylaminomethyl)-4-methylthiophene-3-sulfonamide
CID 102751319
N-cyclopropyl-N-(cyclopropylmethyl)-2-(ethylaminomethyl)-4-methylthiophene-3-sulfonamide
CID 102754090
N-cyclopropyl-2-[(cyclopropylamino)methyl]-N-ethyl-4-methylthiophene-3-sulfonamide
CID 102751317
N-cyclohexyl-4-methyl-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 102751897
N,4-dimethyl-N-(3-methylbutyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 102752389
N-cyclohexyl-2,3,4,5,6-pentamethyl-N-prop-2-enylbenzenesulfonamide
CID 3670403
N-cyclohexyl-2,3,5,6-tetramethyl-N-prop-2-enylbenzenesulfonamide
CID 3670404
2-(chloromethyl)-N-cyclohexyl-N-ethyl-4-methylthiophene-3-sulfonamide
CID 102750332
N-(3,3-dimethylbutan-2-yl)-4-methyl-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 106079151

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-methyl-2-[(propan-2-ylamino)methyl]-N-prop-2-enylthiophene-3-sulfonamide?
The IUPAC name of N-cyclopropyl-4-methyl-2-[(propan-2-ylamino)methyl]-N-prop-2-enylthiophene-3-sulfonamide (CID 102754612) is N-cyclopropyl-4-methyl-2-[(propan-2-ylamino)methyl]-N-prop-2-enylthiophene-3-sulfonamide.
What is the SMILES notation for N-cyclopropyl-4-methyl-2-[(propan-2-ylamino)methyl]-N-prop-2-enylthiophene-3-sulfonamide?
The canonical SMILES for N-cyclopropyl-4-methyl-2-[(propan-2-ylamino)methyl]-N-prop-2-enylthiophene-3-sulfonamide is C=CCN(C1CC1)S(=O)(=O)c1c(C)csc1CNC(C)C.
What is the InChIKey of N-cyclopropyl-4-methyl-2-[(propan-2-ylamino)methyl]-N-prop-2-enylthiophene-3-sulfonamide?
The InChIKey is DPBSDSNPWSMNPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S2/c1-5-8-17(13-6-7-13)21(18,19)15-12(4)10-20-14(15)9-16-11(2)3/h5,10-11,13,16H,1,6-9H2,2-4H3.
What are the key properties of N-cyclopropyl-4-methyl-2-[(propan-2-ylamino)methyl]-N-prop-2-enylthiophene-3-sulfonamide?
N-cyclopropyl-4-methyl-2-[(propan-2-ylamino)methyl]-N-prop-2-enylthiophene-3-sulfonamide has a molecular weight of 328.50 g/mol, XLogP of 2.89, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-methyl-2-[(propan-2-ylamino)methyl]-N-prop-2-enylthiophene-3-sulfonamide is sourced from PubChem (CID 102754612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).