N-[1-(dimethylamino)propan-2-yl]-2-methyl-5-(methylaminomethyl)thiophene-3-sulfonamide

C12H23N3O2S2 — CID 106074298

IUPACN-[1-(dimethylamino)propan-2-yl]-2-methyl-5-(methylaminomethyl)thiophene-3-sulfonamide
SMILESCNCc1cc(S(=O)(=O)NC(C)CN(C)C)c(C)s1
InChIInChI=1S/C12H23N3O2S2/c1-9(8-15(4)5)14-19(16,17)12-6-11(7-13-3)18-10(12)2/h6,9,13-14H,7-8H2,1-5H3
InChIKeyRYHRMPTZEHDOOV-UHFFFAOYSA-N
MW305.47 g/mol
LogP1.00
Rot. Bonds7

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

N-[1-(dimethylamino)propan-2-yl]-2-methyl-5-(methylaminomethyl)thiophene-3-sulfonamide (PubChem CID 106074298) has the molecular formula C12H23N3O2S2 and a molecular weight of 305.47 g/mol. Its IUPAC name is N-[1-(dimethylamino)propan-2-yl]-2-methyl-5-(methylaminomethyl)thiophene-3-sulfonamide.

Molecular Properties

Compound NameN-[1-(dimethylamino)propan-2-yl]-2-methyl-5-(methylaminomethyl)thiophene-3-sulfonamide
PubChem CID106074298
Molecular FormulaC12H23N3O2S2
Molecular Weight305.47 g/mol
Exact Mass305.12
IUPAC NameN-[1-(dimethylamino)propan-2-yl]-2-methyl-5-(methylaminomethyl)thiophene-3-sulfonamide
SMILESCNCc1cc(S(=O)(=O)NC(C)CN(C)C)c(C)s1
InChIInChI=1S/C12H23N3O2S2/c1-9(8-15(4)5)14-19(16,17)12-6-11(7-13-3)18-10(12)2/h6,9,13-14H,7-8H2,1-5H3
InChIKeyRYHRMPTZEHDOOV-UHFFFAOYSA-N
XLogP1.00
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.47
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-methyl-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 103192336
N-(1-methoxy-3-methylbutan-2-yl)-2-methyl-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106068684
N-[1-(dimethylamino)propan-2-yl]-2-methyl-5-(methylaminomethyl)benzenesulfonamide
CID 106074318
2-bromo-N-[1-(dimethylamino)propan-2-yl]-5-(ethylaminomethyl)thiophene-3-sulfonamide
CID 106074422
2-methyl-5-(methylaminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)thiophene-3-sulfonamide
CID 102915780
2-methyl-5-(methylaminomethyl)-N-(2,3,3-trimethylbutyl)thiophene-3-sulfonamide
CID 83147747
2-chloro-N-[1-(dimethylamino)propan-2-yl]-5-(methylaminomethyl)benzenesulfonamide
CID 106074343
N-(1-cyclopropylpropan-2-yl)-5-(ethylaminomethyl)-2-methylthiophene-3-sulfonamide
CID 106065891
5-[(cyclopropylamino)methyl]-N-(1-cyclopropylpropan-2-yl)-2-methylthiophene-3-sulfonamide
CID 106065775
N-[1-(dimethylamino)propan-2-yl]-2-methylbenzenesulfonamide
CID 82949892
2-methyl-N-(3-methylpentan-2-yl)-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 106053785
3-amino-5-chloro-N-[1-(dimethylamino)propan-2-yl]-2-methylbenzenesulfonamide
CID 114380051

Frequently Asked Questions

What is the IUPAC name of N-[1-(dimethylamino)propan-2-yl]-2-methyl-5-(methylaminomethyl)thiophene-3-sulfonamide?
The IUPAC name of N-[1-(dimethylamino)propan-2-yl]-2-methyl-5-(methylaminomethyl)thiophene-3-sulfonamide (CID 106074298) is N-[1-(dimethylamino)propan-2-yl]-2-methyl-5-(methylaminomethyl)thiophene-3-sulfonamide.
What is the SMILES notation for N-[1-(dimethylamino)propan-2-yl]-2-methyl-5-(methylaminomethyl)thiophene-3-sulfonamide?
The canonical SMILES for N-[1-(dimethylamino)propan-2-yl]-2-methyl-5-(methylaminomethyl)thiophene-3-sulfonamide is CNCc1cc(S(=O)(=O)NC(C)CN(C)C)c(C)s1.
What is the InChIKey of N-[1-(dimethylamino)propan-2-yl]-2-methyl-5-(methylaminomethyl)thiophene-3-sulfonamide?
The InChIKey is RYHRMPTZEHDOOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2S2/c1-9(8-15(4)5)14-19(16,17)12-6-11(7-13-3)18-10(12)2/h6,9,13-14H,7-8H2,1-5H3.
What are the key properties of N-[1-(dimethylamino)propan-2-yl]-2-methyl-5-(methylaminomethyl)thiophene-3-sulfonamide?
N-[1-(dimethylamino)propan-2-yl]-2-methyl-5-(methylaminomethyl)thiophene-3-sulfonamide has a molecular weight of 305.47 g/mol, XLogP of 1.00, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(dimethylamino)propan-2-yl]-2-methyl-5-(methylaminomethyl)thiophene-3-sulfonamide is sourced from PubChem (CID 106074298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).