N-[(4-hydroxycyclohexyl)methyl]-3-sulfanylpropanamide

C10H19NO2S — CID 106137800

IUPACN-[(4-hydroxycyclohexyl)methyl]-3-sulfanylpropanamide
SMILESO=C(CCS)NCC1CCC(O)CC1
InChIInChI=1S/C10H19NO2S/c12-9-3-1-8(2-4-9)7-11-10(13)5-6-14/h8-9,12,14H,1-7H2,(H,11,13)
InChIKeyYUEKPEXRZJOSHJ-UHFFFAOYSA-N
MW217.33 g/mol
LogP0.97
Rot. Bonds4

About N-[(4-hydroxycyclohexyl)methyl]-3-sulfanylpropanamide

N-[(4-hydroxycyclohexyl)methyl]-3-sulfanylpropanamide (PubChem CID 106137800) has the molecular formula C10H19NO2S and a molecular weight of 217.33 g/mol. Its IUPAC name is N-[(4-hydroxycyclohexyl)methyl]-3-sulfanylpropanamide.

Molecular Properties

Compound NameN-[(4-hydroxycyclohexyl)methyl]-3-sulfanylpropanamide
PubChem CID106137800
Molecular FormulaC10H19NO2S
Molecular Weight217.33 g/mol
Exact Mass217.11
IUPAC NameN-[(4-hydroxycyclohexyl)methyl]-3-sulfanylpropanamide
SMILESO=C(CCS)NCC1CCC(O)CC1
InChIInChI=1S/C10H19NO2S/c12-9-3-1-8(2-4-9)7-11-10(13)5-6-14/h8-9,12,14H,1-7H2,(H,11,13)
InChIKeyYUEKPEXRZJOSHJ-UHFFFAOYSA-N
XLogP0.97
TPSA49.33 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-[(4-hydroxycyclohexyl)methyl]-2-sulfanylacetamide
CID 106137809
4-hydroxy-N-[(4-hydroxycyclohexyl)methyl]butanamide
CID 106137727
N-[(3-aminocyclopentyl)methyl]-3-sulfanylpropanamide
CID 123690704
6-amino-N-[(4-hydroxycyclohexyl)methyl]hexanamide
CID 106135658
3-(tert-butylamino)-N-[(4-hydroxycyclohexyl)methyl]propanamide
CID 106135794
N-[(4-hydroxycyclohexyl)methyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 106137808
N-[(3-hydroxycyclopentyl)methyl]-2-sulfanylacetamide
CID 106137763
N-[(4-hydroxycyclohexyl)methyl]prop-2-enamide
CID 106124120
2-[2-[(4-hydroxycyclohexyl)methylamino]-2-oxoethoxy]acetic acid
CID 106120428
3-chloro-N-[(3-hydroxycyclopentyl)methyl]propanamide
CID 106127897
N-(cyclopentylmethyl)-11-sulfanylundecanamide
CID 59137895
N-[(4-hydroxycyclohexyl)methyl]-3-phenylsulfanylpropanamide
CID 106121354

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxycyclohexyl)methyl]-3-sulfanylpropanamide?
The IUPAC name of N-[(4-hydroxycyclohexyl)methyl]-3-sulfanylpropanamide (CID 106137800) is N-[(4-hydroxycyclohexyl)methyl]-3-sulfanylpropanamide.
What is the SMILES notation for N-[(4-hydroxycyclohexyl)methyl]-3-sulfanylpropanamide?
The canonical SMILES for N-[(4-hydroxycyclohexyl)methyl]-3-sulfanylpropanamide is O=C(CCS)NCC1CCC(O)CC1.
What is the InChIKey of N-[(4-hydroxycyclohexyl)methyl]-3-sulfanylpropanamide?
The InChIKey is YUEKPEXRZJOSHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2S/c12-9-3-1-8(2-4-9)7-11-10(13)5-6-14/h8-9,12,14H,1-7H2,(H,11,13).
What are the key properties of N-[(4-hydroxycyclohexyl)methyl]-3-sulfanylpropanamide?
N-[(4-hydroxycyclohexyl)methyl]-3-sulfanylpropanamide has a molecular weight of 217.33 g/mol, XLogP of 0.97, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxycyclohexyl)methyl]-3-sulfanylpropanamide is sourced from PubChem (CID 106137800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).