5-(tert-butylsulfinylamino)-N-[(1S)-4-ethylcyclohex-3-en-1-yl]pentanamide

C17H32N2O2S — CID 70974461

IUPAC5-(tert-butylsulfinylamino)-N-[(1S)-4-ethylcyclohex-3-en-1-yl]pentanamide
SMILESCCC1=CC[C@@H](NC(=O)CCCCNS(=O)C(C)(C)C)CC1
InChIInChI=1S/C17H32N2O2S/c1-5-14-9-11-15(12-10-14)19-16(20)8-6-7-13-18-22(21)17(2,3)4/h9,15,18H,5-8,10-13H2,1-4H3,(H,19,20)/t15-,22?/m1/s1
InChIKeySDPMTPPEWAFFIN-JGHKVMFLSA-N
MW328.52 g/mol
LogP3.21
Rot. Bonds8

About 5-(tert-butylsulfinylamino)-N-[(1S)-4-ethylcyclohex-3-en-1-yl]pentanamide

5-(tert-butylsulfinylamino)-N-[(1S)-4-ethylcyclohex-3-en-1-yl]pentanamide (PubChem CID 70974461) has the molecular formula C17H32N2O2S and a molecular weight of 328.52 g/mol. Its IUPAC name is 5-(tert-butylsulfinylamino)-N-[(1S)-4-ethylcyclohex-3-en-1-yl]pentanamide.

Molecular Properties

Compound Name5-(tert-butylsulfinylamino)-N-[(1S)-4-ethylcyclohex-3-en-1-yl]pentanamide
PubChem CID70974461
Molecular FormulaC17H32N2O2S
Molecular Weight328.52 g/mol
Exact Mass328.22
IUPAC Name5-(tert-butylsulfinylamino)-N-[(1S)-4-ethylcyclohex-3-en-1-yl]pentanamide
SMILESCCC1=CC[C@@H](NC(=O)CCCCNS(=O)C(C)(C)C)CC1
InChIInChI=1S/C17H32N2O2S/c1-5-14-9-11-15(12-10-14)19-16(20)8-6-7-13-18-22(21)17(2,3)4/h9,15,18H,5-8,10-13H2,1-4H3,(H,19,20)/t15-,22?/m1/s1
InChIKeySDPMTPPEWAFFIN-JGHKVMFLSA-N
XLogP3.21
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.52
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(tert-butylsulfinylamino)-N-[(1S)-4-ethylcyclohex-3-en-1-yl]pentanamide?
The IUPAC name of 5-(tert-butylsulfinylamino)-N-[(1S)-4-ethylcyclohex-3-en-1-yl]pentanamide (CID 70974461) is 5-(tert-butylsulfinylamino)-N-[(1S)-4-ethylcyclohex-3-en-1-yl]pentanamide.
What is the SMILES notation for 5-(tert-butylsulfinylamino)-N-[(1S)-4-ethylcyclohex-3-en-1-yl]pentanamide?
The canonical SMILES for 5-(tert-butylsulfinylamino)-N-[(1S)-4-ethylcyclohex-3-en-1-yl]pentanamide is CCC1=CC[C@@H](NC(=O)CCCCNS(=O)C(C)(C)C)CC1.
What is the InChIKey of 5-(tert-butylsulfinylamino)-N-[(1S)-4-ethylcyclohex-3-en-1-yl]pentanamide?
The InChIKey is SDPMTPPEWAFFIN-JGHKVMFLSA-N. The full InChI is InChI=1S/C17H32N2O2S/c1-5-14-9-11-15(12-10-14)19-16(20)8-6-7-13-18-22(21)17(2,3)4/h9,15,18H,5-8,10-13H2,1-4H3,(H,19,20)/t15-,22?/m1/s1.
What are the key properties of 5-(tert-butylsulfinylamino)-N-[(1S)-4-ethylcyclohex-3-en-1-yl]pentanamide?
5-(tert-butylsulfinylamino)-N-[(1S)-4-ethylcyclohex-3-en-1-yl]pentanamide has a molecular weight of 328.52 g/mol, XLogP of 3.21, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(tert-butylsulfinylamino)-N-[(1S)-4-ethylcyclohex-3-en-1-yl]pentanamide is sourced from PubChem (CID 70974461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).