N-(3-methylsulfanylbutyl)spiro[3.5]nonan-3-amine

C14H27NS — CID 102952412

IUPACN-(3-methylsulfanylbutyl)spiro[3.5]nonan-3-amine
SMILESCSC(C)CCNC1CCC12CCCCC2
InChIInChI=1S/C14H27NS/c1-12(16-2)7-11-15-13-6-10-14(13)8-4-3-5-9-14/h12-13,15H,3-11H2,1-2H3
InChIKeyCWVCPIDXONZRNJ-UHFFFAOYSA-N
MW241.44 g/mol
LogP3.83
Rot. Bonds5

About N-(3-methylsulfanylbutyl)spiro[3.5]nonan-3-amine

N-(3-methylsulfanylbutyl)spiro[3.5]nonan-3-amine (PubChem CID 102952412) has the molecular formula C14H27NS and a molecular weight of 241.44 g/mol. Its IUPAC name is N-(3-methylsulfanylbutyl)spiro[3.5]nonan-3-amine.

Molecular Properties

Compound NameN-(3-methylsulfanylbutyl)spiro[3.5]nonan-3-amine
PubChem CID102952412
Molecular FormulaC14H27NS
Molecular Weight241.44 g/mol
Exact Mass241.19
IUPAC NameN-(3-methylsulfanylbutyl)spiro[3.5]nonan-3-amine
SMILESCSC(C)CCNC1CCC12CCCCC2
InChIInChI=1S/C14H27NS/c1-12(16-2)7-11-15-13-6-10-14(13)8-4-3-5-9-14/h12-13,15H,3-11H2,1-2H3
InChIKeyCWVCPIDXONZRNJ-UHFFFAOYSA-N
XLogP3.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.44
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(spiro[3.5]nonan-3-ylamino)butan-2-ol
CID 102951974
N'-methyl-N'-propan-2-yl-N-spiro[3.5]nonan-3-ylethane-1,2-diamine
CID 102951849
N-(3-methylsulfanylbutyl)cyclooctanamine
CID 115716124
N-(3-phenylbutyl)spiro[3.5]nonan-3-amine
CID 102951873
N-(2-methylpropyl)spiro[3.4]octan-3-amine
CID 131207014
N-(2-fluoroethyl)spiro[3.5]nonan-3-amine
CID 130503965
N-but-3-ynylspiro[3.5]nonan-3-amine
CID 102951944
(2S)-1-N-spiro[3.4]octan-3-ylpropane-1,2-diamine
CID 164658810
3-methyl-1-(spiro[3.5]nonan-3-ylamino)butan-2-ol
CID 102952410
2,2,5,5-tetramethyl-N-(3-methylsulfanylbutyl)oxolan-3-amine
CID 115716195
1-(spiro[3.5]nonan-3-ylamino)pentan-2-ol
CID 102952417
N-pentan-2-ylspiro[3.5]nonan-3-amine
CID 102951172

Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfanylbutyl)spiro[3.5]nonan-3-amine?
The IUPAC name of N-(3-methylsulfanylbutyl)spiro[3.5]nonan-3-amine (CID 102952412) is N-(3-methylsulfanylbutyl)spiro[3.5]nonan-3-amine.
What is the SMILES notation for N-(3-methylsulfanylbutyl)spiro[3.5]nonan-3-amine?
The canonical SMILES for N-(3-methylsulfanylbutyl)spiro[3.5]nonan-3-amine is CSC(C)CCNC1CCC12CCCCC2.
What is the InChIKey of N-(3-methylsulfanylbutyl)spiro[3.5]nonan-3-amine?
The InChIKey is CWVCPIDXONZRNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NS/c1-12(16-2)7-11-15-13-6-10-14(13)8-4-3-5-9-14/h12-13,15H,3-11H2,1-2H3.
What are the key properties of N-(3-methylsulfanylbutyl)spiro[3.5]nonan-3-amine?
N-(3-methylsulfanylbutyl)spiro[3.5]nonan-3-amine has a molecular weight of 241.44 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfanylbutyl)spiro[3.5]nonan-3-amine is sourced from PubChem (CID 102952412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).