1-[(1,1-dioxothiolan-3-yl)amino]-3-(4-methylcyclohexyl)oxypropan-2-ol

C14H27NO4S — CID 60633936

IUPAC1-[(1,1-dioxothiolan-3-yl)amino]-3-(4-methylcyclohexyl)oxypropan-2-ol
SMILESCC1CCC(OCC(O)CNC2CCS(=O)(=O)C2)CC1
InChIInChI=1S/C14H27NO4S/c1-11-2-4-14(5-3-11)19-9-13(16)8-15-12-6-7-20(17,18)10-12/h11-16H,2-10H2,1H3
InChIKeyCYSYJMICTVLHCR-UHFFFAOYSA-N
MW305.44 g/mol
LogP0.72
Rot. Bonds6

About 1-[(1,1-dioxothiolan-3-yl)amino]-3-(4-methylcyclohexyl)oxypropan-2-ol

1-[(1,1-dioxothiolan-3-yl)amino]-3-(4-methylcyclohexyl)oxypropan-2-ol (PubChem CID 60633936) has the molecular formula C14H27NO4S and a molecular weight of 305.44 g/mol. Its IUPAC name is 1-[(1,1-dioxothiolan-3-yl)amino]-3-(4-methylcyclohexyl)oxypropan-2-ol.

Molecular Properties

Compound Name1-[(1,1-dioxothiolan-3-yl)amino]-3-(4-methylcyclohexyl)oxypropan-2-ol
PubChem CID60633936
Molecular FormulaC14H27NO4S
Molecular Weight305.44 g/mol
Exact Mass305.17
IUPAC Name1-[(1,1-dioxothiolan-3-yl)amino]-3-(4-methylcyclohexyl)oxypropan-2-ol
SMILESCC1CCC(OCC(O)CNC2CCS(=O)(=O)C2)CC1
InChIInChI=1S/C14H27NO4S/c1-11-2-4-14(5-3-11)19-9-13(16)8-15-12-6-7-20(17,18)10-12/h11-16H,2-10H2,1H3
InChIKeyCYSYJMICTVLHCR-UHFFFAOYSA-N
XLogP0.72
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.44
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(1,1-dioxothiolan-3-yl)amino]-3-(4-methylcyclohexyl)oxypropan-2-ol with MolForge

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Related Compounds

1-[(1,1-dioxothiolan-3-yl)amino]-3-(3-methylcyclohexyl)oxypropan-2-ol
CID 60633977
1-[(4-methylcyclohexyl)amino]-3-(4-methylcyclohexyl)oxypropan-2-ol
CID 60633137
1-(4-methylcyclohexyl)oxy-3-[(3-methylcyclopentyl)amino]propan-2-ol
CID 114545713
1-amino-3-[(1,1-dioxothiolan-3-yl)amino]propan-2-ol
CID 82283753
1-[(1,1-dioxothiolan-3-yl)amino]-3-[(6-methylcyclohex-3-en-1-yl)methoxy]propan-2-ol
CID 60633933
2-[[2-hydroxy-3-(4-methylcyclohexyl)oxypropyl]amino]cyclohexan-1-ol
CID 62358746
1-(2-butoxyethoxy)-3-[(1,1-dioxothian-3-yl)amino]propan-2-ol
CID 63922339
3-[[2-hydroxy-3-(4-methylcyclohexyl)oxypropyl]amino]propanamide
CID 54938914
1-[(2-methoxycyclopentyl)amino]-3-(4-methylcyclohexyl)oxypropan-2-ol
CID 62088574
1-[(1,1-dioxothiolan-3-yl)amino]-3-(4-ethylphenoxy)propan-2-ol
CID 60633976
1-[[2-hydroxy-3-(4-methylcyclohexyl)oxypropyl]amino]-4-methylpentan-2-ol
CID 107152434
1-ethoxy-3-[(4-methylcyclohexyl)amino]propan-2-ol
CID 63931912

Frequently Asked Questions

What is the IUPAC name of 1-[(1,1-dioxothiolan-3-yl)amino]-3-(4-methylcyclohexyl)oxypropan-2-ol?
The IUPAC name of 1-[(1,1-dioxothiolan-3-yl)amino]-3-(4-methylcyclohexyl)oxypropan-2-ol (CID 60633936) is 1-[(1,1-dioxothiolan-3-yl)amino]-3-(4-methylcyclohexyl)oxypropan-2-ol.
What is the SMILES notation for 1-[(1,1-dioxothiolan-3-yl)amino]-3-(4-methylcyclohexyl)oxypropan-2-ol?
The canonical SMILES for 1-[(1,1-dioxothiolan-3-yl)amino]-3-(4-methylcyclohexyl)oxypropan-2-ol is CC1CCC(OCC(O)CNC2CCS(=O)(=O)C2)CC1.
What is the InChIKey of 1-[(1,1-dioxothiolan-3-yl)amino]-3-(4-methylcyclohexyl)oxypropan-2-ol?
The InChIKey is CYSYJMICTVLHCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO4S/c1-11-2-4-14(5-3-11)19-9-13(16)8-15-12-6-7-20(17,18)10-12/h11-16H,2-10H2,1H3.
What are the key properties of 1-[(1,1-dioxothiolan-3-yl)amino]-3-(4-methylcyclohexyl)oxypropan-2-ol?
1-[(1,1-dioxothiolan-3-yl)amino]-3-(4-methylcyclohexyl)oxypropan-2-ol has a molecular weight of 305.44 g/mol, XLogP of 0.72, 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)amino]-3-(4-methylcyclohexyl)oxypropan-2-ol is sourced from PubChem (CID 60633936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).