N-methyl-1-methylsulfonyl-7-thiophen-2-ylheptan-4-amine

C13H23NO2S2 — CID 105113307

IUPACN-methyl-1-methylsulfonyl-7-thiophen-2-ylheptan-4-amine
SMILESCNC(CCCc1cccs1)CCCS(C)(=O)=O
InChIInChI=1S/C13H23NO2S2/c1-14-12(7-5-11-18(2,15)16)6-3-8-13-9-4-10-17-13/h4,9-10,12,14H,3,5-8,11H2,1-2H3
InChIKeyYZUJNUPDRRGOSS-UHFFFAOYSA-N
MW289.47 g/mol
LogP2.48
Rot. Bonds9

About N-methyl-1-methylsulfonyl-7-thiophen-2-ylheptan-4-amine

N-methyl-1-methylsulfonyl-7-thiophen-2-ylheptan-4-amine (PubChem CID 105113307) has the molecular formula C13H23NO2S2 and a molecular weight of 289.47 g/mol. Its IUPAC name is N-methyl-1-methylsulfonyl-7-thiophen-2-ylheptan-4-amine.

Molecular Properties

Compound NameN-methyl-1-methylsulfonyl-7-thiophen-2-ylheptan-4-amine
PubChem CID105113307
Molecular FormulaC13H23NO2S2
Molecular Weight289.47 g/mol
Exact Mass289.12
IUPAC NameN-methyl-1-methylsulfonyl-7-thiophen-2-ylheptan-4-amine
SMILESCNC(CCCc1cccs1)CCCS(C)(=O)=O
InChIInChI=1S/C13H23NO2S2/c1-14-12(7-5-11-18(2,15)16)6-3-8-13-9-4-10-17-13/h4,9-10,12,14H,3,5-8,11H2,1-2H3
InChIKeyYZUJNUPDRRGOSS-UHFFFAOYSA-N
XLogP2.48
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-methylsulfonyl-7-thiophen-2-ylheptan-4-yl)hydrazine
CID 105290949
N-methyl-1-phenyl-6-thiophen-2-ylhexan-3-amine
CID 105094221
N-ethyl-1-ethylsulfonyl-7-thiophen-2-ylheptan-4-amine
CID 105152716
1-cyclopropyl-N-methyl-6-thiophen-2-ylhexan-3-amine
CID 105157838
N-methyl-6-phenyl-1-thiophen-2-ylhexan-3-amine
CID 105150151
N-methyl-1-thiophen-2-yldodecan-3-amine
CID 115860959
1-(furan-2-yl)-N-methyl-6-methylsulfonylhexan-3-amine
CID 105113102
5-methylsulfonyl-1-thiophen-2-ylpentan-2-ol
CID 63192447
N-methyl-4-methylsulfonyl-1-thiophen-2-ylbutan-1-amine
CID 63192027
N-methyl-1-(2-methylphenyl)-5-thiophen-2-ylpentan-2-amine
CID 61065069
N-methyl-1-(2-methyl-1,3-thiazol-4-yl)-5-thiophen-2-ylpentan-2-amine
CID 105159077
1-(3,4-dichlorophenyl)-N-methyl-5-thiophen-2-ylpentan-2-amine
CID 63527812

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-methylsulfonyl-7-thiophen-2-ylheptan-4-amine?
The IUPAC name of N-methyl-1-methylsulfonyl-7-thiophen-2-ylheptan-4-amine (CID 105113307) is N-methyl-1-methylsulfonyl-7-thiophen-2-ylheptan-4-amine.
What is the SMILES notation for N-methyl-1-methylsulfonyl-7-thiophen-2-ylheptan-4-amine?
The canonical SMILES for N-methyl-1-methylsulfonyl-7-thiophen-2-ylheptan-4-amine is CNC(CCCc1cccs1)CCCS(C)(=O)=O.
What is the InChIKey of N-methyl-1-methylsulfonyl-7-thiophen-2-ylheptan-4-amine?
The InChIKey is YZUJNUPDRRGOSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2S2/c1-14-12(7-5-11-18(2,15)16)6-3-8-13-9-4-10-17-13/h4,9-10,12,14H,3,5-8,11H2,1-2H3.
What are the key properties of N-methyl-1-methylsulfonyl-7-thiophen-2-ylheptan-4-amine?
N-methyl-1-methylsulfonyl-7-thiophen-2-ylheptan-4-amine has a molecular weight of 289.47 g/mol, XLogP of 2.48, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-methylsulfonyl-7-thiophen-2-ylheptan-4-amine is sourced from PubChem (CID 105113307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).