1-[(1,1-dioxothiolan-3-yl)methylamino]-3-methoxypropan-2-ol

C9H19NO4S — CID 63928167

IUPAC1-[(1,1-dioxothiolan-3-yl)methylamino]-3-methoxypropan-2-ol
SMILESCOCC(O)CNCC1CCS(=O)(=O)C1
InChIInChI=1S/C9H19NO4S/c1-14-6-9(11)5-10-4-8-2-3-15(12,13)7-8/h8-11H,2-7H2,1H3
InChIKeyRMXCSYNZJCNNMV-UHFFFAOYSA-N
MW237.32 g/mol
LogP-0.98
Rot. Bonds6

About 1-[(1,1-dioxothiolan-3-yl)methylamino]-3-methoxypropan-2-ol

1-[(1,1-dioxothiolan-3-yl)methylamino]-3-methoxypropan-2-ol (PubChem CID 63928167) has the molecular formula C9H19NO4S and a molecular weight of 237.32 g/mol. Its IUPAC name is 1-[(1,1-dioxothiolan-3-yl)methylamino]-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-[(1,1-dioxothiolan-3-yl)methylamino]-3-methoxypropan-2-ol
PubChem CID63928167
Molecular FormulaC9H19NO4S
Molecular Weight237.32 g/mol
Exact Mass237.10
IUPAC Name1-[(1,1-dioxothiolan-3-yl)methylamino]-3-methoxypropan-2-ol
SMILESCOCC(O)CNCC1CCS(=O)(=O)C1
InChIInChI=1S/C9H19NO4S/c1-14-6-9(11)5-10-4-8-2-3-15(12,13)7-8/h8-11H,2-7H2,1H3
InChIKeyRMXCSYNZJCNNMV-UHFFFAOYSA-N
XLogP-0.98
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 5-0.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(1,1-dioxothiolan-3-yl)methylamino]-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106989532
(2S)-3-[(1,1-dioxothiolan-3-yl)methylamino]propane-1,2-diol
CID 61150575
1-methoxy-3-(oxan-4-ylmethylamino)propan-2-ol
CID 63930500
N-[(1,1-dioxothiolan-3-yl)methyl]-1-(1-methylpiperidin-4-yl)methanamine
CID 55101098
1-[(1,1-dioxothiolan-3-yl)methyl]-3-(2-methoxyethyl)thiourea
CID 115578358
2-N-[2-(1,1-dioxothiolan-3-yl)ethyl]-1-N-(2-methoxyethyl)propane-1,2-diamine
CID 113407660
1-(1,1-dioxothiolan-3-yl)-3-ethoxypropan-2-ol
CID 105111757
N-[(1,1-dioxothiolan-3-yl)methyl]-3-methoxybutan-2-amine
CID 115708252
1-(cyclobutylmethylamino)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106989343
1-[(1,4-dimethylpiperazin-2-yl)methylamino]-3-methoxypropan-2-ol
CID 63930922
ethyl 2-[2-[(1,1-dioxothiolan-3-yl)methylamino]ethoxy]acetate
CID 103242576
N-[(1,1-dioxothiolan-3-yl)methyl]pentan-1-amine
CID 61058510

Frequently Asked Questions

What is the IUPAC name of 1-[(1,1-dioxothiolan-3-yl)methylamino]-3-methoxypropan-2-ol?
The IUPAC name of 1-[(1,1-dioxothiolan-3-yl)methylamino]-3-methoxypropan-2-ol (CID 63928167) is 1-[(1,1-dioxothiolan-3-yl)methylamino]-3-methoxypropan-2-ol.
What is the SMILES notation for 1-[(1,1-dioxothiolan-3-yl)methylamino]-3-methoxypropan-2-ol?
The canonical SMILES for 1-[(1,1-dioxothiolan-3-yl)methylamino]-3-methoxypropan-2-ol is COCC(O)CNCC1CCS(=O)(=O)C1.
What is the InChIKey of 1-[(1,1-dioxothiolan-3-yl)methylamino]-3-methoxypropan-2-ol?
The InChIKey is RMXCSYNZJCNNMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO4S/c1-14-6-9(11)5-10-4-8-2-3-15(12,13)7-8/h8-11H,2-7H2,1H3.
What are the key properties of 1-[(1,1-dioxothiolan-3-yl)methylamino]-3-methoxypropan-2-ol?
1-[(1,1-dioxothiolan-3-yl)methylamino]-3-methoxypropan-2-ol has a molecular weight of 237.32 g/mol, XLogP of -0.98, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,1-dioxothiolan-3-yl)methylamino]-3-methoxypropan-2-ol is sourced from PubChem (CID 63928167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).