4-tert-butylsulfanyl-N-[(1-hydroxycyclohexyl)methyl]butanamide

C15H29NO2S — CID 109379715

IUPAC4-tert-butylsulfanyl-N-[(1-hydroxycyclohexyl)methyl]butanamide
SMILESCC(C)(C)SCCCC(=O)NCC1(O)CCCCC1
InChIInChI=1S/C15H29NO2S/c1-14(2,3)19-11-7-8-13(17)16-12-15(18)9-5-4-6-10-15/h18H,4-12H2,1-3H3,(H,16,17)
InChIKeyLUVXABUMMYYATL-UHFFFAOYSA-N
MW287.47 g/mol
LogP3.11
Rot. Bonds6

About 4-tert-butylsulfanyl-N-[(1-hydroxycyclohexyl)methyl]butanamide

4-tert-butylsulfanyl-N-[(1-hydroxycyclohexyl)methyl]butanamide (PubChem CID 109379715) has the molecular formula C15H29NO2S and a molecular weight of 287.47 g/mol. Its IUPAC name is 4-tert-butylsulfanyl-N-[(1-hydroxycyclohexyl)methyl]butanamide.

Molecular Properties

Compound Name4-tert-butylsulfanyl-N-[(1-hydroxycyclohexyl)methyl]butanamide
PubChem CID109379715
Molecular FormulaC15H29NO2S
Molecular Weight287.47 g/mol
Exact Mass287.19
IUPAC Name4-tert-butylsulfanyl-N-[(1-hydroxycyclohexyl)methyl]butanamide
SMILESCC(C)(C)SCCCC(=O)NCC1(O)CCCCC1
InChIInChI=1S/C15H29NO2S/c1-14(2,3)19-11-7-8-13(17)16-12-15(18)9-5-4-6-10-15/h18H,4-12H2,1-3H3,(H,16,17)
InChIKeyLUVXABUMMYYATL-UHFFFAOYSA-N
XLogP3.11
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.47
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(1-hydroxycyclohexyl)methyl]-2-(2,2,2-trifluoroethylsulfanyl)acetamide
CID 109886593
N-[(4,4-difluoro-1-hydroxycyclohexyl)methyl]thiolane-2-carboxamide
CID 154842835
N-[(1-hydroxycyclohexyl)methyl]propanamide
CID 64866984
N-[(1-hydroxycyclohexyl)methyl]-3-methylbutanamide
CID 64868494
N-(2-hydroxy-2-methylpropyl)-4-methylsulfanylcyclohexane-1-carboxamide
CID 123886905
1-[(3-Methylsulfanylpropylamino)methyl]cyclohexan-1-ol
CID 63966266
3-(2-amino-2-oxoethyl)sulfanyl-N-[(1-hydroxycyclopentyl)methyl]propanamide
CID 64195029
N-[(1-hydroxycyclopentyl)methyl]-3-methylsulfanylpropanamide
CID 64195357
2-tert-butylsulfanyl-N-[(1-hydroxycyclopentyl)methyl]acetamide
CID 64196205
N-[(1-hydroxycyclopentyl)methyl]-2-methylsulfanylacetamide
CID 64196531
N-[(1-hydroxycyclopentyl)methyl]-2-propan-2-ylsulfanylacetamide
CID 64196700
2-butylsulfanyl-N-[(1-hydroxycyclopentyl)methyl]acetamide
CID 64197699

Frequently Asked Questions

What is the IUPAC name of 4-tert-butylsulfanyl-N-[(1-hydroxycyclohexyl)methyl]butanamide?
The IUPAC name of 4-tert-butylsulfanyl-N-[(1-hydroxycyclohexyl)methyl]butanamide (CID 109379715) is 4-tert-butylsulfanyl-N-[(1-hydroxycyclohexyl)methyl]butanamide.
What is the SMILES notation for 4-tert-butylsulfanyl-N-[(1-hydroxycyclohexyl)methyl]butanamide?
The canonical SMILES for 4-tert-butylsulfanyl-N-[(1-hydroxycyclohexyl)methyl]butanamide is CC(C)(C)SCCCC(=O)NCC1(O)CCCCC1.
What is the InChIKey of 4-tert-butylsulfanyl-N-[(1-hydroxycyclohexyl)methyl]butanamide?
The InChIKey is LUVXABUMMYYATL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2S/c1-14(2,3)19-11-7-8-13(17)16-12-15(18)9-5-4-6-10-15/h18H,4-12H2,1-3H3,(H,16,17).
What are the key properties of 4-tert-butylsulfanyl-N-[(1-hydroxycyclohexyl)methyl]butanamide?
4-tert-butylsulfanyl-N-[(1-hydroxycyclohexyl)methyl]butanamide has a molecular weight of 287.47 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butylsulfanyl-N-[(1-hydroxycyclohexyl)methyl]butanamide is sourced from PubChem (CID 109379715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).