N-(4,4-dimethylpentyl)thiolan-3-amine

C11H23NS — CID 115891448

IUPACN-(4,4-dimethylpentyl)thiolan-3-amine
SMILESCC(C)(C)CCCNC1CCSC1
InChIInChI=1S/C11H23NS/c1-11(2,3)6-4-7-12-10-5-8-13-9-10/h10,12H,4-9H2,1-3H3
InChIKeyHKSHFDIXWYAJAV-UHFFFAOYSA-N
MW201.38 g/mol
LogP2.91
Rot. Bonds4

About N-(4,4-dimethylpentyl)thiolan-3-amine

N-(4,4-dimethylpentyl)thiolan-3-amine (PubChem CID 115891448) has the molecular formula C11H23NS and a molecular weight of 201.38 g/mol. Its IUPAC name is N-(4,4-dimethylpentyl)thiolan-3-amine.

Molecular Properties

Compound NameN-(4,4-dimethylpentyl)thiolan-3-amine
PubChem CID115891448
Molecular FormulaC11H23NS
Molecular Weight201.38 g/mol
Exact Mass201.16
IUPAC NameN-(4,4-dimethylpentyl)thiolan-3-amine
SMILESCC(C)(C)CCCNC1CCSC1
InChIInChI=1S/C11H23NS/c1-11(2,3)6-4-7-12-10-5-8-13-9-10/h10,12H,4-9H2,1-3H3
InChIKeyHKSHFDIXWYAJAV-UHFFFAOYSA-N
XLogP2.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.38
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-pentylthiolan-3-amine
CID 43177655
2,2-dimethyl-4-(thiolan-3-ylamino)butanenitrile
CID 103062807
N'-hydroxy-2,2-dimethyl-6-(thiolan-3-ylamino)hexanimidamide
CID 106711687
5-(thiolan-3-ylamino)pentanamide
CID 106233737
N'-cyclohexyl-N'-methyl-N-(thiolan-3-yl)propane-1,3-diamine
CID 54880266
2,2-dimethyl-4-(thian-3-ylamino)butanoic acid
CID 122084398
N-(5,5-dimethylhexyl)cyclohexanamine
CID 58974848
N-(4,4-dimethylpentyl)oxolan-3-amine
CID 115689448
N-[(E)-pent-3-enyl]thiolan-3-amine
CID 115890143
N'-pyridin-4-yl-N-(thiolan-3-yl)propane-1,3-diamine
CID 115727070
(2S)-1-[[(3S)-thiolan-3-yl]amino]propan-2-ol
CID 93033310
N'-cyclopropyl-N'-methyl-N-(thiolan-3-yl)ethane-1,2-diamine
CID 62975333

Frequently Asked Questions

What is the IUPAC name of N-(4,4-dimethylpentyl)thiolan-3-amine?
The IUPAC name of N-(4,4-dimethylpentyl)thiolan-3-amine (CID 115891448) is N-(4,4-dimethylpentyl)thiolan-3-amine.
What is the SMILES notation for N-(4,4-dimethylpentyl)thiolan-3-amine?
The canonical SMILES for N-(4,4-dimethylpentyl)thiolan-3-amine is CC(C)(C)CCCNC1CCSC1.
What is the InChIKey of N-(4,4-dimethylpentyl)thiolan-3-amine?
The InChIKey is HKSHFDIXWYAJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NS/c1-11(2,3)6-4-7-12-10-5-8-13-9-10/h10,12H,4-9H2,1-3H3.
What are the key properties of N-(4,4-dimethylpentyl)thiolan-3-amine?
N-(4,4-dimethylpentyl)thiolan-3-amine has a molecular weight of 201.38 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-dimethylpentyl)thiolan-3-amine is sourced from PubChem (CID 115891448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).