1-[(1-sulfanylethylamino)methyl]cyclopropan-1-ol

C6H13NOS — CID 139457540

IUPAC1-[(1-sulfanylethylamino)methyl]cyclopropan-1-ol
SMILESCC(S)NCC1(O)CC1
InChIInChI=1S/C6H13NOS/c1-5(9)7-4-6(8)2-3-6/h5,7-9H,2-4H2,1H3
InChIKeyNZGSJZHLHFETLC-UHFFFAOYSA-N
MW147.24 g/mol
LogP0.38
Rot. Bonds3

About 1-[(1-sulfanylethylamino)methyl]cyclopropan-1-ol

1-[(1-sulfanylethylamino)methyl]cyclopropan-1-ol (PubChem CID 139457540) has the molecular formula C6H13NOS and a molecular weight of 147.24 g/mol. Its IUPAC name is 1-[(1-sulfanylethylamino)methyl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[(1-sulfanylethylamino)methyl]cyclopropan-1-ol
PubChem CID139457540
Molecular FormulaC6H13NOS
Molecular Weight147.24 g/mol
Exact Mass147.07
IUPAC Name1-[(1-sulfanylethylamino)methyl]cyclopropan-1-ol
SMILESCC(S)NCC1(O)CC1
InChIInChI=1S/C6H13NOS/c1-5(9)7-4-6(8)2-3-6/h5,7-9H,2-4H2,1H3
InChIKeyNZGSJZHLHFETLC-UHFFFAOYSA-N
XLogP0.38
TPSA32.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.24
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-sulfanylethylamino)methyl]cyclopropan-1-ol?
The IUPAC name of 1-[(1-sulfanylethylamino)methyl]cyclopropan-1-ol (CID 139457540) is 1-[(1-sulfanylethylamino)methyl]cyclopropan-1-ol.
What is the SMILES notation for 1-[(1-sulfanylethylamino)methyl]cyclopropan-1-ol?
The canonical SMILES for 1-[(1-sulfanylethylamino)methyl]cyclopropan-1-ol is CC(S)NCC1(O)CC1.
What is the InChIKey of 1-[(1-sulfanylethylamino)methyl]cyclopropan-1-ol?
The InChIKey is NZGSJZHLHFETLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NOS/c1-5(9)7-4-6(8)2-3-6/h5,7-9H,2-4H2,1H3.
What are the key properties of 1-[(1-sulfanylethylamino)methyl]cyclopropan-1-ol?
1-[(1-sulfanylethylamino)methyl]cyclopropan-1-ol has a molecular weight of 147.24 g/mol, XLogP of 0.38, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-sulfanylethylamino)methyl]cyclopropan-1-ol is sourced from PubChem (CID 139457540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).