(3S)-N-[(3S)-2-methylpentan-3-yl]-1,1-dioxothiolan-3-amine

C10H21NO2S — CID 93281259

IUPAC(3S)-N-[(3S)-2-methylpentan-3-yl]-1,1-dioxothiolan-3-amine
SMILESCC[C@H](N[C@H]1CCS(=O)(=O)C1)C(C)C
InChIInChI=1S/C10H21NO2S/c1-4-10(8(2)3)11-9-5-6-14(12,13)7-9/h8-11H,4-7H2,1-3H3/t9-,10-/m0/s1
InChIKeyVKEQMURACDGJJC-UWVGGRQHSA-N
MW219.35 g/mol
LogP1.20
Rot. Bonds4

About (3S)-N-[(3S)-2-methylpentan-3-yl]-1,1-dioxothiolan-3-amine

(3S)-N-[(3S)-2-methylpentan-3-yl]-1,1-dioxothiolan-3-amine (PubChem CID 93281259) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is (3S)-N-[(3S)-2-methylpentan-3-yl]-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound Name(3S)-N-[(3S)-2-methylpentan-3-yl]-1,1-dioxothiolan-3-amine
PubChem CID93281259
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC Name(3S)-N-[(3S)-2-methylpentan-3-yl]-1,1-dioxothiolan-3-amine
SMILESCC[C@H](N[C@H]1CCS(=O)(=O)C1)C(C)C
InChIInChI=1S/C10H21NO2S/c1-4-10(8(2)3)11-9-5-6-14(12,13)7-9/h8-11H,4-7H2,1-3H3/t9-,10-/m0/s1
InChIKeyVKEQMURACDGJJC-UWVGGRQHSA-N
XLogP1.20
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-methylheptan-3-yl)-1,1-dioxothiolan-3-amine
CID 43191011
2-[(1,1-dioxothiolan-3-yl)amino]propan-1-ol
CID 61058037
N-heptan-4-yl-1,1-dioxothiolan-3-amine
CID 43191007
(2S)-2-[(1,1-dioxothian-4-yl)amino]-3-methylbutan-1-ol
CID 79253470
N-hexan-2-yl-1,1-dioxothiolan-3-amine
CID 43757079
(2R)-2-[[(3S)-1,1-dioxothiolan-3-yl]amino]butanoic acid
CID 7058941
methyl 2-[(1,1-dioxothiolan-3-yl)amino]-3-methylpentanoate
CID 43839832
2-[(1,1-dioxothiolan-3-yl)amino]-N,N-diethylpropanamide
CID 43112784
2-[(1,1-dioxothiolan-3-yl)amino]-N-ethylpropanamide
CID 43085824
N-hept-6-en-3-yl-1,1-dioxothiolan-3-amine
CID 115707649
(3R)-1,1-dioxo-N-propan-2-ylthian-3-amine
CID 176810874
N-[1-(4-methylphenyl)propyl]-1,1-dioxothiolan-3-amine
CID 43177616

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(3S)-2-methylpentan-3-yl]-1,1-dioxothiolan-3-amine?
The IUPAC name of (3S)-N-[(3S)-2-methylpentan-3-yl]-1,1-dioxothiolan-3-amine (CID 93281259) is (3S)-N-[(3S)-2-methylpentan-3-yl]-1,1-dioxothiolan-3-amine.
What is the SMILES notation for (3S)-N-[(3S)-2-methylpentan-3-yl]-1,1-dioxothiolan-3-amine?
The canonical SMILES for (3S)-N-[(3S)-2-methylpentan-3-yl]-1,1-dioxothiolan-3-amine is CC[C@H](N[C@H]1CCS(=O)(=O)C1)C(C)C.
What is the InChIKey of (3S)-N-[(3S)-2-methylpentan-3-yl]-1,1-dioxothiolan-3-amine?
The InChIKey is VKEQMURACDGJJC-UWVGGRQHSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-4-10(8(2)3)11-9-5-6-14(12,13)7-9/h8-11H,4-7H2,1-3H3/t9-,10-/m0/s1.
What are the key properties of (3S)-N-[(3S)-2-methylpentan-3-yl]-1,1-dioxothiolan-3-amine?
(3S)-N-[(3S)-2-methylpentan-3-yl]-1,1-dioxothiolan-3-amine has a molecular weight of 219.35 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(3S)-2-methylpentan-3-yl]-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 93281259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).