N-spiro[4.5]decan-8-ylthian-3-amine

C15H27NS — CID 114817932

IUPACN-spiro[4.5]decan-8-ylthian-3-amine
SMILESC1CSCC(NC2CCC3(CCCC3)CC2)C1
InChIInChI=1S/C15H27NS/c1-2-8-15(7-1)9-5-13(6-10-15)16-14-4-3-11-17-12-14/h13-14,16H,1-12H2
InChIKeyUWDJSDKUAUVUPL-UHFFFAOYSA-N
MW253.45 g/mol
LogP3.97
Rot. Bonds2

About N-spiro[4.5]decan-8-ylthian-3-amine

N-spiro[4.5]decan-8-ylthian-3-amine (PubChem CID 114817932) has the molecular formula C15H27NS and a molecular weight of 253.45 g/mol. Its IUPAC name is N-spiro[4.5]decan-8-ylthian-3-amine.

Molecular Properties

Compound NameN-spiro[4.5]decan-8-ylthian-3-amine
PubChem CID114817932
Molecular FormulaC15H27NS
Molecular Weight253.45 g/mol
Exact Mass253.19
IUPAC NameN-spiro[4.5]decan-8-ylthian-3-amine
SMILESC1CSCC(NC2CCC3(CCCC3)CC2)C1
InChIInChI=1S/C15H27NS/c1-2-8-15(7-1)9-5-13(6-10-15)16-14-4-3-11-17-12-14/h13-14,16H,1-12H2
InChIKeyUWDJSDKUAUVUPL-UHFFFAOYSA-N
XLogP3.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.45
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-bicyclo[3.1.0]hexanyl)thian-3-amine
CID 131057670
N-(thian-3-yl)-1-oxaspiro[5.5]undecan-4-amine
CID 86811515
N-(1,1-dioxothietan-3-yl)thian-3-amine
CID 115032985
N-(thian-3-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 115726551
N-methylthian-3-amine;hydrochloride
CID 86811695
N-(3-methylcyclopentyl)spiro[4.5]decan-8-amine
CID 114817955
trans-(1S,2S)-2-[[(3R)-thian-3-yl]amino]cyclohexan-1-ol
CID 94887280
N-(3-methoxycyclobutyl)spiro[4.5]decan-8-amine
CID 114118865
N-cyclohex-3-en-1-ylspiro[4.5]decan-8-amine
CID 114817734
2-methyl-N-(thian-3-yl)oxan-4-amine
CID 115898568
N-[(1-ethylcyclopentyl)methyl]thian-3-amine
CID 115882236
N-(2,3-dimethylcyclobutyl)thian-3-amine
CID 130621412

Frequently Asked Questions

What is the IUPAC name of N-spiro[4.5]decan-8-ylthian-3-amine?
The IUPAC name of N-spiro[4.5]decan-8-ylthian-3-amine (CID 114817932) is N-spiro[4.5]decan-8-ylthian-3-amine.
What is the SMILES notation for N-spiro[4.5]decan-8-ylthian-3-amine?
The canonical SMILES for N-spiro[4.5]decan-8-ylthian-3-amine is C1CSCC(NC2CCC3(CCCC3)CC2)C1.
What is the InChIKey of N-spiro[4.5]decan-8-ylthian-3-amine?
The InChIKey is UWDJSDKUAUVUPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NS/c1-2-8-15(7-1)9-5-13(6-10-15)16-14-4-3-11-17-12-14/h13-14,16H,1-12H2.
What are the key properties of N-spiro[4.5]decan-8-ylthian-3-amine?
N-spiro[4.5]decan-8-ylthian-3-amine has a molecular weight of 253.45 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-spiro[4.5]decan-8-ylthian-3-amine is sourced from PubChem (CID 114817932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).