N,N-dimethyl-3-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propane-1-sulfonamide

C12H22N2O2S2 — CID 135108529

IUPACN,N-dimethyl-3-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propane-1-sulfonamide
SMILESCc1ccsc1CN(C)CCCS(=O)(=O)N(C)C
InChIInChI=1S/C12H22N2O2S2/c1-11-6-8-17-12(11)10-14(4)7-5-9-18(15,16)13(2)3/h6,8H,5,7,9-10H2,1-4H3
InChIKeyIZZSTPAMBKKSEB-UHFFFAOYSA-N
MW290.45 g/mol
LogP1.77
Rot. Bonds7

About N,N-dimethyl-3-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propane-1-sulfonamide

N,N-dimethyl-3-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propane-1-sulfonamide (PubChem CID 135108529) has the molecular formula C12H22N2O2S2 and a molecular weight of 290.45 g/mol. Its IUPAC name is N,N-dimethyl-3-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propane-1-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propane-1-sulfonamide
PubChem CID135108529
Molecular FormulaC12H22N2O2S2
Molecular Weight290.45 g/mol
Exact Mass290.11
IUPAC NameN,N-dimethyl-3-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propane-1-sulfonamide
SMILESCc1ccsc1CN(C)CCCS(=O)(=O)N(C)C
InChIInChI=1S/C12H22N2O2S2/c1-11-6-8-17-12(11)10-14(4)7-5-9-18(15,16)13(2)3/h6,8H,5,7,9-10H2,1-4H3
InChIKeyIZZSTPAMBKKSEB-UHFFFAOYSA-N
XLogP1.77
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propan-1-ol
CID 115216990
N-methyl-N-[(3-methylthiophen-2-yl)methyl]propane-1-sulfonamide
CID 61383956
N,N-dimethyl-4-[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]ethoxy]benzenesulfonamide
CID 51281628
1-N-methyl-1-N-[(3-methylthiophen-2-yl)methyl]butane-1,3-diamine
CID 115199472
3-[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]ethylsulfonyl]benzonitrile
CID 84590117
4-[[methyl-[(3-methylthiophen-2-yl)methyl]amino]methyl]benzoic acid
CID 65056095
N'-methyl-N'-[2-(3-methylthiophen-2-yl)ethyl]butane-1,4-diamine
CID 115201578
2-amino-N-methyl-4-methylsulfonyl-N-[(3-methylthiophen-2-yl)methyl]butanamide
CID 54870095
N-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-pyrrolidin-3-ylethanamine
CID 115210838
3-methyl-2-(methylsulfonylmethyl)thiophene
CID 86036540
2,6-difluoro-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide
CID 51183787
3-[2-hydroxyethyl-[(3-methylthiophen-2-yl)methyl]amino]propan-1-ol
CID 115882869

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propane-1-sulfonamide?
The IUPAC name of N,N-dimethyl-3-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propane-1-sulfonamide (CID 135108529) is N,N-dimethyl-3-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propane-1-sulfonamide.
What is the SMILES notation for N,N-dimethyl-3-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propane-1-sulfonamide?
The canonical SMILES for N,N-dimethyl-3-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propane-1-sulfonamide is Cc1ccsc1CN(C)CCCS(=O)(=O)N(C)C.
What is the InChIKey of N,N-dimethyl-3-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propane-1-sulfonamide?
The InChIKey is IZZSTPAMBKKSEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2S2/c1-11-6-8-17-12(11)10-14(4)7-5-9-18(15,16)13(2)3/h6,8H,5,7,9-10H2,1-4H3.
What are the key properties of N,N-dimethyl-3-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propane-1-sulfonamide?
N,N-dimethyl-3-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propane-1-sulfonamide has a molecular weight of 290.45 g/mol, XLogP of 1.77, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propane-1-sulfonamide is sourced from PubChem (CID 135108529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).