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

C7H16N2O3S — CID 82283753

IUPAC1-amino-3-[(1,1-dioxothiolan-3-yl)amino]propan-2-ol
SMILESNCC(O)CNC1CCS(=O)(=O)C1
InChIInChI=1S/C7H16N2O3S/c8-3-7(10)4-9-6-1-2-13(11,12)5-6/h6-7,9-10H,1-5,8H2
InChIKeyZNHMCNLPVWZJCA-UHFFFAOYSA-N
MW208.28 g/mol
LogP-1.92
Rot. Bonds4

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

1-amino-3-[(1,1-dioxothiolan-3-yl)amino]propan-2-ol (PubChem CID 82283753) has the molecular formula C7H16N2O3S and a molecular weight of 208.28 g/mol. Its IUPAC name is 1-amino-3-[(1,1-dioxothiolan-3-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1-amino-3-[(1,1-dioxothiolan-3-yl)amino]propan-2-ol
PubChem CID82283753
Molecular FormulaC7H16N2O3S
Molecular Weight208.28 g/mol
Exact Mass208.09
IUPAC Name1-amino-3-[(1,1-dioxothiolan-3-yl)amino]propan-2-ol
SMILESNCC(O)CNC1CCS(=O)(=O)C1
InChIInChI=1S/C7H16N2O3S/c8-3-7(10)4-9-6-1-2-13(11,12)5-6/h6-7,9-10H,1-5,8H2
InChIKeyZNHMCNLPVWZJCA-UHFFFAOYSA-N
XLogP-1.92
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 5-1.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N'-(1,1-dioxothiolan-3-yl)ethane-1,2-diamine
CID 2772236
methyl 2-bromo-3-[(1,1-dioxothiolan-3-yl)amino]propanoate
CID 103231379
N'-(1,1-dioxothiolan-3-yl)ethane-1,2-diamine;hydrochloride
CID 146012772
1-[(1,1-dioxothiolan-3-yl)amino]-3-(4-methylcyclohexyl)oxypropan-2-ol
CID 60633936
2-[[(3S)-1,1-dioxothiolan-3-yl]amino]ethanol
CID 7058904
3-[(1,1-dioxothian-4-yl)amino]-2-hydroxypropanamide
CID 106170603
1-[(1,1-dioxothiolan-3-yl)amino]-3-(3-methylcyclohexyl)oxypropan-2-ol
CID 60633977
1-[(1,1-dioxothiolan-3-yl)amino]-3-(4-ethylphenoxy)propan-2-ol
CID 60633976
1-[(1,1-dioxothiolan-3-yl)amino]-3-[(6-methylcyclohex-3-en-1-yl)methoxy]propan-2-ol
CID 60633933
N-(3-fluoropropyl)-1,1-dioxothiolan-3-amine
CID 81105550
N-[(1,1-dioxothiolan-3-yl)methyl]-1,1-dioxothiolan-3-amine
CID 61057897
N-(2,2-difluoroethyl)-1,1-dioxothian-3-amine
CID 63922755

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[(1,1-dioxothiolan-3-yl)amino]propan-2-ol?
The IUPAC name of 1-amino-3-[(1,1-dioxothiolan-3-yl)amino]propan-2-ol (CID 82283753) is 1-amino-3-[(1,1-dioxothiolan-3-yl)amino]propan-2-ol.
What is the SMILES notation for 1-amino-3-[(1,1-dioxothiolan-3-yl)amino]propan-2-ol?
The canonical SMILES for 1-amino-3-[(1,1-dioxothiolan-3-yl)amino]propan-2-ol is NCC(O)CNC1CCS(=O)(=O)C1.
What is the InChIKey of 1-amino-3-[(1,1-dioxothiolan-3-yl)amino]propan-2-ol?
The InChIKey is ZNHMCNLPVWZJCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O3S/c8-3-7(10)4-9-6-1-2-13(11,12)5-6/h6-7,9-10H,1-5,8H2.
What are the key properties of 1-amino-3-[(1,1-dioxothiolan-3-yl)amino]propan-2-ol?
1-amino-3-[(1,1-dioxothiolan-3-yl)amino]propan-2-ol has a molecular weight of 208.28 g/mol, XLogP of -1.92, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[(1,1-dioxothiolan-3-yl)amino]propan-2-ol is sourced from PubChem (CID 82283753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).