4-methylsulfinyl-N-(1-thiophen-2-ylpropan-2-yl)butan-2-amine

C12H21NOS2 — CID 115893295

IUPAC4-methylsulfinyl-N-(1-thiophen-2-ylpropan-2-yl)butan-2-amine
SMILESCC(CCS(C)=O)NC(C)Cc1cccs1
InChIInChI=1S/C12H21NOS2/c1-10(6-8-16(3)14)13-11(2)9-12-5-4-7-15-12/h4-5,7,10-11,13H,6,8-9H2,1-3H3
InChIKeyZWDQBJHRSPXFRN-UHFFFAOYSA-N
MW259.44 g/mol
LogP2.43
Rot. Bonds7

About 4-methylsulfinyl-N-(1-thiophen-2-ylpropan-2-yl)butan-2-amine

4-methylsulfinyl-N-(1-thiophen-2-ylpropan-2-yl)butan-2-amine (PubChem CID 115893295) has the molecular formula C12H21NOS2 and a molecular weight of 259.44 g/mol. Its IUPAC name is 4-methylsulfinyl-N-(1-thiophen-2-ylpropan-2-yl)butan-2-amine.

Molecular Properties

Compound Name4-methylsulfinyl-N-(1-thiophen-2-ylpropan-2-yl)butan-2-amine
PubChem CID115893295
Molecular FormulaC12H21NOS2
Molecular Weight259.44 g/mol
Exact Mass259.11
IUPAC Name4-methylsulfinyl-N-(1-thiophen-2-ylpropan-2-yl)butan-2-amine
SMILESCC(CCS(C)=O)NC(C)Cc1cccs1
InChIInChI=1S/C12H21NOS2/c1-10(6-8-16(3)14)13-11(2)9-12-5-4-7-15-12/h4-5,7,10-11,13H,6,8-9H2,1-3H3
InChIKeyZWDQBJHRSPXFRN-UHFFFAOYSA-N
XLogP2.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-(4-methylsulfinylbutan-2-yl)-1-thiophen-2-ylpropan-1-amine
CID 113348811
N-propan-2-yl-1-thiophen-2-ylpropan-2-amine
CID 15162973
N-(1-thiophen-2-ylpropan-2-yl)nonan-2-amine
CID 43692705
N-(1-thiophen-2-ylpropan-2-yl)hept-6-en-2-amine
CID 115906838
N-(1,2-dithiophen-2-ylethyl)-1-thiophen-2-ylpropan-2-amine
CID 43783115
N-propan-2-yl-2-(1-thiophen-2-ylpropan-2-ylamino)propanamide
CID 63291724
N-[furan-2-yl(phenyl)methyl]-1-thiophen-2-ylpropan-2-amine
CID 43692754
N-[1-(3-methylthiophen-2-yl)ethyl]-1-thiophen-2-ylpropan-2-amine
CID 63993041
N-propyl-1-thiophen-2-ylpropan-2-amine
CID 43692824
2-[(R)-methylsulfinyl]-N-(thiophen-2-ylmethyl)ethanamine
CID 97064689
3-methoxy-2-(1-thiophen-2-ylpropan-2-ylamino)propanoic acid
CID 103251820
N-(1-thiophen-2-ylpropan-2-yl)cyclopropanamine
CID 82262604

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfinyl-N-(1-thiophen-2-ylpropan-2-yl)butan-2-amine?
The IUPAC name of 4-methylsulfinyl-N-(1-thiophen-2-ylpropan-2-yl)butan-2-amine (CID 115893295) is 4-methylsulfinyl-N-(1-thiophen-2-ylpropan-2-yl)butan-2-amine.
What is the SMILES notation for 4-methylsulfinyl-N-(1-thiophen-2-ylpropan-2-yl)butan-2-amine?
The canonical SMILES for 4-methylsulfinyl-N-(1-thiophen-2-ylpropan-2-yl)butan-2-amine is CC(CCS(C)=O)NC(C)Cc1cccs1.
What is the InChIKey of 4-methylsulfinyl-N-(1-thiophen-2-ylpropan-2-yl)butan-2-amine?
The InChIKey is ZWDQBJHRSPXFRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NOS2/c1-10(6-8-16(3)14)13-11(2)9-12-5-4-7-15-12/h4-5,7,10-11,13H,6,8-9H2,1-3H3.
What are the key properties of 4-methylsulfinyl-N-(1-thiophen-2-ylpropan-2-yl)butan-2-amine?
4-methylsulfinyl-N-(1-thiophen-2-ylpropan-2-yl)butan-2-amine has a molecular weight of 259.44 g/mol, XLogP of 2.43, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfinyl-N-(1-thiophen-2-ylpropan-2-yl)butan-2-amine is sourced from PubChem (CID 115893295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).