5-(thiolan-3-ylamino)pentanamide

C9H18N2OS — CID 106233737

IUPAC5-(thiolan-3-ylamino)pentanamide
SMILESNC(=O)CCCCNC1CCSC1
InChIInChI=1S/C9H18N2OS/c10-9(12)3-1-2-5-11-8-4-6-13-7-8/h8,11H,1-7H2,(H2,10,12)
InChIKeyIUXGAQBINNCUGW-UHFFFAOYSA-N
MW202.32 g/mol
LogP0.74
Rot. Bonds6

About 5-(thiolan-3-ylamino)pentanamide

5-(thiolan-3-ylamino)pentanamide (PubChem CID 106233737) has the molecular formula C9H18N2OS and a molecular weight of 202.32 g/mol. Its IUPAC name is 5-(thiolan-3-ylamino)pentanamide.

Molecular Properties

Compound Name5-(thiolan-3-ylamino)pentanamide
PubChem CID106233737
Molecular FormulaC9H18N2OS
Molecular Weight202.32 g/mol
Exact Mass202.11
IUPAC Name5-(thiolan-3-ylamino)pentanamide
SMILESNC(=O)CCCCNC1CCSC1
InChIInChI=1S/C9H18N2OS/c10-9(12)3-1-2-5-11-8-4-6-13-7-8/h8,11H,1-7H2,(H2,10,12)
InChIKeyIUXGAQBINNCUGW-UHFFFAOYSA-N
XLogP0.74
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 50.74
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

3-(thiolan-3-ylamino)propanoic acid
CID 43139948
N-pentylthiolan-3-amine
CID 43177655
N'-hydroxy-2,2-dimethyl-6-(thiolan-3-ylamino)hexanimidamide
CID 106711687
N-[2-[[(3R)-thiolan-3-yl]amino]ethyl]cyclopropanecarboxamide
CID 97358881
5-[(1,1-dioxothian-4-yl)amino]pentanamide
CID 106233333
N-(4,4-dimethylpentyl)thiolan-3-amine
CID 115891448
1-[3-(1,4-dithiepan-6-ylamino)propyl]piperidine-4-carboxamide
CID 122569116
N'-cyclohexyl-N'-methyl-N-(thiolan-3-yl)propane-1,3-diamine
CID 54880266
ethyl 2-(thiolan-3-ylamino)acetate
CID 60811995
N-[(E)-pent-3-enyl]thiolan-3-amine
CID 115890143
5-[(2,6-dimethyloxan-4-yl)amino]pentanamide
CID 106234819
3-amino-3-sulfanylidene-N-(thiolan-3-yl)propanamide
CID 103063158

Frequently Asked Questions

What is the IUPAC name of 5-(thiolan-3-ylamino)pentanamide?
The IUPAC name of 5-(thiolan-3-ylamino)pentanamide (CID 106233737) is 5-(thiolan-3-ylamino)pentanamide.
What is the SMILES notation for 5-(thiolan-3-ylamino)pentanamide?
The canonical SMILES for 5-(thiolan-3-ylamino)pentanamide is NC(=O)CCCCNC1CCSC1.
What is the InChIKey of 5-(thiolan-3-ylamino)pentanamide?
The InChIKey is IUXGAQBINNCUGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2OS/c10-9(12)3-1-2-5-11-8-4-6-13-7-8/h8,11H,1-7H2,(H2,10,12).
What are the key properties of 5-(thiolan-3-ylamino)pentanamide?
5-(thiolan-3-ylamino)pentanamide has a molecular weight of 202.32 g/mol, XLogP of 0.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(thiolan-3-ylamino)pentanamide is sourced from PubChem (CID 106233737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).