ethane;N-propan-2-yl-1-thiophen-3-ylmethanesulfinamide

C10H19NOS2 — CID 145265578

IUPACethane;N-propan-2-yl-1-thiophen-3-ylmethanesulfinamide
SMILESCC.CC(C)NS(=O)Cc1ccsc1
InChIInChI=1S/C8H13NOS2.C2H6/c1-7(2)9-12(10)6-8-3-4-11-5-8;1-2/h3-5,7,9H,6H2,1-2H3;1-2H3
InChIKeyMLTXLNMGFCKUOR-UHFFFAOYSA-N
MW233.40 g/mol
LogP2.94
Rot. Bonds4

About ethane;N-propan-2-yl-1-thiophen-3-ylmethanesulfinamide

ethane;N-propan-2-yl-1-thiophen-3-ylmethanesulfinamide (PubChem CID 145265578) has the molecular formula C10H19NOS2 and a molecular weight of 233.40 g/mol. Its IUPAC name is ethane;N-propan-2-yl-1-thiophen-3-ylmethanesulfinamide.

Molecular Properties

Compound Nameethane;N-propan-2-yl-1-thiophen-3-ylmethanesulfinamide
PubChem CID145265578
Molecular FormulaC10H19NOS2
Molecular Weight233.40 g/mol
Exact Mass233.09
IUPAC Nameethane;N-propan-2-yl-1-thiophen-3-ylmethanesulfinamide
SMILESCC.CC(C)NS(=O)Cc1ccsc1
InChIInChI=1S/C8H13NOS2.C2H6/c1-7(2)9-12(10)6-8-3-4-11-5-8;1-2/h3-5,7,9H,6H2,1-2H3;1-2H3
InChIKeyMLTXLNMGFCKUOR-UHFFFAOYSA-N
XLogP2.94
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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4-methyl-2-(propan-2-ylamino)-1-thiophen-3-ylpentan-3-one
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3-[(4-fluorophenyl)sulfinylmethyl]thiophene
CID 64717751
N-(1-thiophen-3-ylpropan-2-yl)formamide
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3-(2-fluoropropyl)thiophene
CID 74766003
3-[(2S)-2,3-dimethylbutyl]thiophene
CID 130210876
3-(propan-2-yloxymethyl)thiophene
CID 146745191
1-methyl-3-propan-2-yl-1-(thiophen-3-ylmethyl)urea
CID 53016506
(2R)-2-(thiophen-3-ylmethylamino)propanoic acid
CID 51883451
4-methyl-1-thiophen-3-ylpentane-2,3-diol
CID 103456677

Frequently Asked Questions

What is the IUPAC name of ethane;N-propan-2-yl-1-thiophen-3-ylmethanesulfinamide?
The IUPAC name of ethane;N-propan-2-yl-1-thiophen-3-ylmethanesulfinamide (CID 145265578) is ethane;N-propan-2-yl-1-thiophen-3-ylmethanesulfinamide.
What is the SMILES notation for ethane;N-propan-2-yl-1-thiophen-3-ylmethanesulfinamide?
The canonical SMILES for ethane;N-propan-2-yl-1-thiophen-3-ylmethanesulfinamide is CC.CC(C)NS(=O)Cc1ccsc1.
What is the InChIKey of ethane;N-propan-2-yl-1-thiophen-3-ylmethanesulfinamide?
The InChIKey is MLTXLNMGFCKUOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NOS2.C2H6/c1-7(2)9-12(10)6-8-3-4-11-5-8;1-2/h3-5,7,9H,6H2,1-2H3;1-2H3.
What are the key properties of ethane;N-propan-2-yl-1-thiophen-3-ylmethanesulfinamide?
ethane;N-propan-2-yl-1-thiophen-3-ylmethanesulfinamide has a molecular weight of 233.40 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-propan-2-yl-1-thiophen-3-ylmethanesulfinamide is sourced from PubChem (CID 145265578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).