N-pentan-2-ylmethanesulfinamide

C6H15NOS — CID 123141718

IUPACN-pentan-2-ylmethanesulfinamide
SMILESCCCC(C)NS(C)=O
InChIInChI=1S/C6H15NOS/c1-4-5-6(2)7-9(3)8/h6-7H,4-5H2,1-3H3
InChIKeyOWRUVFZKALCBQE-UHFFFAOYSA-N
MW149.26 g/mol
LogP1.06
Rot. Bonds4

About N-pentan-2-ylmethanesulfinamide

N-pentan-2-ylmethanesulfinamide (PubChem CID 123141718) has the molecular formula C6H15NOS and a molecular weight of 149.26 g/mol. Its IUPAC name is N-pentan-2-ylmethanesulfinamide.

Molecular Properties

Compound NameN-pentan-2-ylmethanesulfinamide
PubChem CID123141718
Molecular FormulaC6H15NOS
Molecular Weight149.26 g/mol
Exact Mass149.09
IUPAC NameN-pentan-2-ylmethanesulfinamide
SMILESCCCC(C)NS(C)=O
InChIInChI=1S/C6H15NOS/c1-4-5-6(2)7-9(3)8/h6-7H,4-5H2,1-3H3
InChIKeyOWRUVFZKALCBQE-UHFFFAOYSA-N
XLogP1.06
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.26
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(S)-2-methyl-N-[(2S)-pentan-2-yl]propane-2-sulfinamide
CID 135057244
N-pent-4-yn-2-ylmethanesulfinamide
CID 130834467
N-(1-cyanopropan-2-yl)methanesulfinamide
CID 130892472
1,2-bis[(2S)-pentan-2-yl]hydrazine
CID 92556919
N-[(2R)-hexan-2-yl]-2-methylpropane-2-sulfinamide
CID 101035801
N-(3-methylsulfinylbutyl)heptan-4-amine
CID 115894411
2-(sulfinoamino)decane
CID 57421744
(2R)-N-chloropentan-2-amine
CID 88575991
N-methylpentan-2-amine;hydrochloride
CID 42919600
ethane;(2S)-N-methylpentan-2-amine
CID 143603159
N-(1-hydroxypentan-3-yl)methanesulfinamide
CID 127006197
4-(sulfinatoamino)heptane
CID 57467022

Frequently Asked Questions

What is the IUPAC name of N-pentan-2-ylmethanesulfinamide?
The IUPAC name of N-pentan-2-ylmethanesulfinamide (CID 123141718) is N-pentan-2-ylmethanesulfinamide.
What is the SMILES notation for N-pentan-2-ylmethanesulfinamide?
The canonical SMILES for N-pentan-2-ylmethanesulfinamide is CCCC(C)NS(C)=O.
What is the InChIKey of N-pentan-2-ylmethanesulfinamide?
The InChIKey is OWRUVFZKALCBQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NOS/c1-4-5-6(2)7-9(3)8/h6-7H,4-5H2,1-3H3.
What are the key properties of N-pentan-2-ylmethanesulfinamide?
N-pentan-2-ylmethanesulfinamide has a molecular weight of 149.26 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentan-2-ylmethanesulfinamide is sourced from PubChem (CID 123141718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).