2-methyl-1-[(2-methyl-1,1-dioxothiolan-3-yl)amino]propan-2-ol

C9H19NO3S — CID 131190739

IUPAC2-methyl-1-[(2-methyl-1,1-dioxothiolan-3-yl)amino]propan-2-ol
SMILESCC1C(NCC(C)(C)O)CCS1(=O)=O
InChIInChI=1S/C9H19NO3S/c1-7-8(4-5-14(7,12)13)10-6-9(2,3)11/h7-8,10-11H,4-6H2,1-3H3
InChIKeyUWDPRUUAYXBFIR-UHFFFAOYSA-N
MW221.32 g/mol
LogP-0.08
Rot. Bonds3

About 2-methyl-1-[(2-methyl-1,1-dioxothiolan-3-yl)amino]propan-2-ol

2-methyl-1-[(2-methyl-1,1-dioxothiolan-3-yl)amino]propan-2-ol (PubChem CID 131190739) has the molecular formula C9H19NO3S and a molecular weight of 221.32 g/mol. Its IUPAC name is 2-methyl-1-[(2-methyl-1,1-dioxothiolan-3-yl)amino]propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[(2-methyl-1,1-dioxothiolan-3-yl)amino]propan-2-ol
PubChem CID131190739
Molecular FormulaC9H19NO3S
Molecular Weight221.32 g/mol
Exact Mass221.11
IUPAC Name2-methyl-1-[(2-methyl-1,1-dioxothiolan-3-yl)amino]propan-2-ol
SMILESCC1C(NCC(C)(C)O)CCS1(=O)=O
InChIInChI=1S/C9H19NO3S/c1-7-8(4-5-14(7,12)13)10-6-9(2,3)11/h7-8,10-11H,4-6H2,1-3H3
InChIKeyUWDPRUUAYXBFIR-UHFFFAOYSA-N
XLogP-0.08
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methyl-1,1-dioxothiolan-3-yl)propanamide
CID 130676489
(2R,3R)-2-methyl-1,1-dioxo-N-propan-2-ylthiolan-3-amine
CID 167913931
1-methyl-3-[(2S,3S)-2-methyl-1,1-dioxothiolan-3-yl]thiourea
CID 130969391
1-chloro-N-(2-methyl-1,1-dioxothiolan-3-yl)methanesulfonamide
CID 130710681
3-[(1,1-dioxothian-4-yl)amino]-2-methylpropane-1,2-diol
CID 66168318
2-methyl-1-[[(1R,3S)-3-methylcyclohexyl]amino]propan-2-ol
CID 93346375
1-[[(1R,4R)-2-bicyclo[2.2.1]hept-5-enyl]amino]-2-methylpropan-2-ol
CID 130978007
2-(2-methyl-1,1-dioxothiolan-3-yl)acetic acid
CID 82402699
2-methyl-1-[(1-methylazepan-4-yl)amino]propan-2-ol
CID 65102952
1-[(2,2-dimethyloxolan-3-yl)amino]-2-methylpropan-2-ol
CID 130649838
2-hydroxy-2-methyl-3-[(2-methylcyclopropyl)amino]propanoic acid
CID 104644381
4-(2,2-dimethylpropylamino)-1,1-dioxothiolan-3-ol
CID 61166838

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(2-methyl-1,1-dioxothiolan-3-yl)amino]propan-2-ol?
The IUPAC name of 2-methyl-1-[(2-methyl-1,1-dioxothiolan-3-yl)amino]propan-2-ol (CID 131190739) is 2-methyl-1-[(2-methyl-1,1-dioxothiolan-3-yl)amino]propan-2-ol.
What is the SMILES notation for 2-methyl-1-[(2-methyl-1,1-dioxothiolan-3-yl)amino]propan-2-ol?
The canonical SMILES for 2-methyl-1-[(2-methyl-1,1-dioxothiolan-3-yl)amino]propan-2-ol is CC1C(NCC(C)(C)O)CCS1(=O)=O.
What is the InChIKey of 2-methyl-1-[(2-methyl-1,1-dioxothiolan-3-yl)amino]propan-2-ol?
The InChIKey is UWDPRUUAYXBFIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3S/c1-7-8(4-5-14(7,12)13)10-6-9(2,3)11/h7-8,10-11H,4-6H2,1-3H3.
What are the key properties of 2-methyl-1-[(2-methyl-1,1-dioxothiolan-3-yl)amino]propan-2-ol?
2-methyl-1-[(2-methyl-1,1-dioxothiolan-3-yl)amino]propan-2-ol has a molecular weight of 221.32 g/mol, XLogP of -0.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(2-methyl-1,1-dioxothiolan-3-yl)amino]propan-2-ol is sourced from PubChem (CID 131190739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).