2-benzylsulfanyl-N'-[(4S)-4-tert-butylcyclohexen-1-yl]acetohydrazide

C19H28N2OS — CID 2247660

IUPAC2-benzylsulfanyl-N'-[(4S)-4-tert-butylcyclohexen-1-yl]acetohydrazide
SMILESCC(C)(C)[C@@H]1CC=C(NNC(=O)CSCc2ccccc2)CC1
InChIInChI=1S/C19H28N2OS/c1-19(2,3)16-9-11-17(12-10-16)20-21-18(22)14-23-13-15-7-5-4-6-8-15/h4-8,11,16,20H,9-10,12-14H2,1-3H3,(H,21,22)/t16-/m1/s1
InChIKeySYOUWMIVWOZVRF-MRXNPFEDSA-N
MW332.51 g/mol
LogP4.27
Rot. Bonds6

About 2-benzylsulfanyl-N'-[(4S)-4-tert-butylcyclohexen-1-yl]acetohydrazide

2-benzylsulfanyl-N'-[(4S)-4-tert-butylcyclohexen-1-yl]acetohydrazide (PubChem CID 2247660) has the molecular formula C19H28N2OS and a molecular weight of 332.51 g/mol. Its IUPAC name is 2-benzylsulfanyl-N'-[(4S)-4-tert-butylcyclohexen-1-yl]acetohydrazide.

Molecular Properties

Compound Name2-benzylsulfanyl-N'-[(4S)-4-tert-butylcyclohexen-1-yl]acetohydrazide
PubChem CID2247660
Molecular FormulaC19H28N2OS
Molecular Weight332.51 g/mol
Exact Mass332.19
IUPAC Name2-benzylsulfanyl-N'-[(4S)-4-tert-butylcyclohexen-1-yl]acetohydrazide
SMILESCC(C)(C)[C@@H]1CC=C(NNC(=O)CSCc2ccccc2)CC1
InChIInChI=1S/C19H28N2OS/c1-19(2,3)16-9-11-17(12-10-16)20-21-18(22)14-23-13-15-7-5-4-6-8-15/h4-8,11,16,20H,9-10,12-14H2,1-3H3,(H,21,22)/t16-/m1/s1
InChIKeySYOUWMIVWOZVRF-MRXNPFEDSA-N
XLogP4.27
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.51
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[(4R)-4-phenylcyclohexen-1-yl]acetohydrazide
CID 2163318
2-benzylsulfanyl-N-(2-methyl-1-phenylpropan-2-yl)acetamide
CID 100733886
2-benzylsulfanyl-N-[2-[(2-benzylsulfanylacetyl)amino]ethyl]acetamide
CID 7784841
2-[(4-methoxyphenyl)methylsulfanyl]-N'-(1-methyl-1,2,3,6-tetrahydropyridin-1-ium-4-yl)acetohydrazide
CID 4691155
2-benzylsulfanyl-2-cyclopropylpropanoic acid
CID 114990259
2-benzylsulfanyl-N-(2-hydroxycyclohexyl)acetamide
CID 62366139
2-benzylsulfanyl-N-(2-hydroxy-2-methylbutyl)acetamide
CID 65112666
2-benzylsulfanyl-N'-[2-(4-methylphenyl)sulfanylacetyl]acetohydrazide
CID 9418190
2-benzylsulfanyl-N-(2-cyclopentylsulfanylethyl)acetamide
CID 94101603
2-benzylsulfanyl-N-phenylacetamide
CID 584914
N-[(4-tert-butylcyclohexylidene)amino]-2-[(4-nitrophenyl)methylsulfanyl]acetamide
CID 3874040
2-benzylsulfanyl-N-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]acetamide
CID 95984125

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-N'-[(4S)-4-tert-butylcyclohexen-1-yl]acetohydrazide?
The IUPAC name of 2-benzylsulfanyl-N'-[(4S)-4-tert-butylcyclohexen-1-yl]acetohydrazide (CID 2247660) is 2-benzylsulfanyl-N'-[(4S)-4-tert-butylcyclohexen-1-yl]acetohydrazide.
What is the SMILES notation for 2-benzylsulfanyl-N'-[(4S)-4-tert-butylcyclohexen-1-yl]acetohydrazide?
The canonical SMILES for 2-benzylsulfanyl-N'-[(4S)-4-tert-butylcyclohexen-1-yl]acetohydrazide is CC(C)(C)[C@@H]1CC=C(NNC(=O)CSCc2ccccc2)CC1.
What is the InChIKey of 2-benzylsulfanyl-N'-[(4S)-4-tert-butylcyclohexen-1-yl]acetohydrazide?
The InChIKey is SYOUWMIVWOZVRF-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H28N2OS/c1-19(2,3)16-9-11-17(12-10-16)20-21-18(22)14-23-13-15-7-5-4-6-8-15/h4-8,11,16,20H,9-10,12-14H2,1-3H3,(H,21,22)/t16-/m1/s1.
What are the key properties of 2-benzylsulfanyl-N'-[(4S)-4-tert-butylcyclohexen-1-yl]acetohydrazide?
2-benzylsulfanyl-N'-[(4S)-4-tert-butylcyclohexen-1-yl]acetohydrazide has a molecular weight of 332.51 g/mol, XLogP of 4.27, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-N'-[(4S)-4-tert-butylcyclohexen-1-yl]acetohydrazide is sourced from PubChem (CID 2247660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).