N-(3-methylbut-2-enyl)-1-sulfanylpiperidin-4-amine

C10H20N2S — CID 123684409

IUPACN-(3-methylbut-2-enyl)-1-sulfanylpiperidin-4-amine
SMILESCC(C)=CCNC1CCN(S)CC1
InChIInChI=1S/C10H20N2S/c1-9(2)3-6-11-10-4-7-12(13)8-5-10/h3,10-11,13H,4-8H2,1-2H3
InChIKeyNHFUJGLQVZYVRK-UHFFFAOYSA-N
MW200.35 g/mol
LogP1.85
Rot. Bonds3

About N-(3-methylbut-2-enyl)-1-sulfanylpiperidin-4-amine

N-(3-methylbut-2-enyl)-1-sulfanylpiperidin-4-amine (PubChem CID 123684409) has the molecular formula C10H20N2S and a molecular weight of 200.35 g/mol. Its IUPAC name is N-(3-methylbut-2-enyl)-1-sulfanylpiperidin-4-amine.

Molecular Properties

Compound NameN-(3-methylbut-2-enyl)-1-sulfanylpiperidin-4-amine
PubChem CID123684409
Molecular FormulaC10H20N2S
Molecular Weight200.35 g/mol
Exact Mass200.13
IUPAC NameN-(3-methylbut-2-enyl)-1-sulfanylpiperidin-4-amine
SMILESCC(C)=CCNC1CCN(S)CC1
InChIInChI=1S/C10H20N2S/c1-9(2)3-6-11-10-4-7-12(13)8-5-10/h3,10-11,13H,4-8H2,1-2H3
InChIKeyNHFUJGLQVZYVRK-UHFFFAOYSA-N
XLogP1.85
TPSA15.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-(3-Methylbut-2-en-1-yl)piperidin-4-amine
CID 43556892
(3R,4S)-3-fluoro-N-[(2E,4E)-5-fluoro-2-methylhexa-2,4-dienyl]piperidin-4-amine
CID 137547755
1-(3-methylbut-2-enyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43755088
1-(3-methylbut-2-enyl)-N-(3,3,3-trifluoropropyl)piperidin-4-amine
CID 63226114
1-(3-methylbut-2-enyl)-N-(4,4,4-trifluorobutyl)piperidin-4-amine
CID 81343467
1-(3-methylbut-2-enyl)-N-(4,4,4-trifluorobutan-2-yl)piperidin-4-amine
CID 103782629
N-(3-methylbut-2-enyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 113825715
N-(2,2-difluoroethyl)-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 115405685
1-(3-methylbut-2-enyl)-N-(5,5,5-trifluoropentyl)piperidin-4-amine
CID 115516869
1-methyl-N-(prop-2-en-1-yl)piperidin-4-amine
CID 4711811
N-methyl-N-prop-2-enylpiperidin-4-amine
CID 43607260
N-methyl-1-prop-2-enylpiperidin-4-amine
CID 59708827

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbut-2-enyl)-1-sulfanylpiperidin-4-amine?
The IUPAC name of N-(3-methylbut-2-enyl)-1-sulfanylpiperidin-4-amine (CID 123684409) is N-(3-methylbut-2-enyl)-1-sulfanylpiperidin-4-amine.
What is the SMILES notation for N-(3-methylbut-2-enyl)-1-sulfanylpiperidin-4-amine?
The canonical SMILES for N-(3-methylbut-2-enyl)-1-sulfanylpiperidin-4-amine is CC(C)=CCNC1CCN(S)CC1.
What is the InChIKey of N-(3-methylbut-2-enyl)-1-sulfanylpiperidin-4-amine?
The InChIKey is NHFUJGLQVZYVRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2S/c1-9(2)3-6-11-10-4-7-12(13)8-5-10/h3,10-11,13H,4-8H2,1-2H3.
What are the key properties of N-(3-methylbut-2-enyl)-1-sulfanylpiperidin-4-amine?
N-(3-methylbut-2-enyl)-1-sulfanylpiperidin-4-amine has a molecular weight of 200.35 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbut-2-enyl)-1-sulfanylpiperidin-4-amine is sourced from PubChem (CID 123684409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).