(2S)-2-[(1,1-dioxothian-4-yl)amino]-3-methylbutan-1-ol

C10H21NO3S — CID 79253470

IUPAC(2S)-2-[(1,1-dioxothian-4-yl)amino]-3-methylbutan-1-ol
SMILESCC(C)[C@@H](CO)NC1CCS(=O)(=O)CC1
InChIInChI=1S/C10H21NO3S/c1-8(2)10(7-12)11-9-3-5-15(13,14)6-4-9/h8-12H,3-7H2,1-2H3/t10-/m1/s1
InChIKeyWVWAQRHRWRYLCJ-SNVBAGLBSA-N
MW235.35 g/mol
LogP0.17
Rot. Bonds4

About (2S)-2-[(1,1-dioxothian-4-yl)amino]-3-methylbutan-1-ol

(2S)-2-[(1,1-dioxothian-4-yl)amino]-3-methylbutan-1-ol (PubChem CID 79253470) has the molecular formula C10H21NO3S and a molecular weight of 235.35 g/mol. Its IUPAC name is (2S)-2-[(1,1-dioxothian-4-yl)amino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name(2S)-2-[(1,1-dioxothian-4-yl)amino]-3-methylbutan-1-ol
PubChem CID79253470
Molecular FormulaC10H21NO3S
Molecular Weight235.35 g/mol
Exact Mass235.12
IUPAC Name(2S)-2-[(1,1-dioxothian-4-yl)amino]-3-methylbutan-1-ol
SMILESCC(C)[C@@H](CO)NC1CCS(=O)(=O)CC1
InChIInChI=1S/C10H21NO3S/c1-8(2)10(7-12)11-9-3-5-15(13,14)6-4-9/h8-12H,3-7H2,1-2H3/t10-/m1/s1
InChIKeyWVWAQRHRWRYLCJ-SNVBAGLBSA-N
XLogP0.17
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-3-methyl-2-[(1-methylpiperidin-4-yl)amino]butan-1-ol
CID 79253287
(2S)-2-[(4,4-dimethylcyclohexyl)amino]-3-methylbutan-1-ol
CID 79254694
1-[4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]piperidin-1-yl]ethanone
CID 79254180
(3S)-N-[(3S)-2-methylpentan-3-yl]-1,1-dioxothiolan-3-amine
CID 93281259
2-[(1,1-dioxothiolan-3-yl)amino]propan-1-ol
CID 61058037
4-[(1-hydroxy-3-methylbutan-2-yl)amino]piperidine-1-carboxamide
CID 79253533
2-[(1,1-dioxothian-4-yl)amino]propanamide
CID 43545283
2-[(1,1-dioxothiepan-4-yl)amino]propanoic acid
CID 164654865
3-methyl-2-(oxepan-4-ylamino)butan-1-ol
CID 79254168
2-[(3-aminocyclobutyl)amino]-3-methylbutan-1-ol
CID 80562093
(2S)-3-methyl-2-(pyrrolidin-3-ylamino)butan-1-ol
CID 79742166
2-(1,1-dioxothiolan-3-yl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]acetamide
CID 79252269

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(1,1-dioxothian-4-yl)amino]-3-methylbutan-1-ol?
The IUPAC name of (2S)-2-[(1,1-dioxothian-4-yl)amino]-3-methylbutan-1-ol (CID 79253470) is (2S)-2-[(1,1-dioxothian-4-yl)amino]-3-methylbutan-1-ol.
What is the SMILES notation for (2S)-2-[(1,1-dioxothian-4-yl)amino]-3-methylbutan-1-ol?
The canonical SMILES for (2S)-2-[(1,1-dioxothian-4-yl)amino]-3-methylbutan-1-ol is CC(C)[C@@H](CO)NC1CCS(=O)(=O)CC1.
What is the InChIKey of (2S)-2-[(1,1-dioxothian-4-yl)amino]-3-methylbutan-1-ol?
The InChIKey is WVWAQRHRWRYLCJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H21NO3S/c1-8(2)10(7-12)11-9-3-5-15(13,14)6-4-9/h8-12H,3-7H2,1-2H3/t10-/m1/s1.
What are the key properties of (2S)-2-[(1,1-dioxothian-4-yl)amino]-3-methylbutan-1-ol?
(2S)-2-[(1,1-dioxothian-4-yl)amino]-3-methylbutan-1-ol has a molecular weight of 235.35 g/mol, XLogP of 0.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(1,1-dioxothian-4-yl)amino]-3-methylbutan-1-ol is sourced from PubChem (CID 79253470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).