N-cyclopropyl-N-propan-2-ylthian-4-amine

C11H21NS — CID 127012112

IUPACN-cyclopropyl-N-propan-2-ylthian-4-amine
SMILESCC(C)N(C1CCSCC1)C1CC1
InChIInChI=1S/C11H21NS/c1-9(2)12(10-3-4-10)11-5-7-13-8-6-11/h9-11H,3-8H2,1-2H3
InChIKeyIXUMBIYOTJKLHG-UHFFFAOYSA-N
MW199.36 g/mol
LogP2.75
Rot. Bonds3

About N-cyclopropyl-N-propan-2-ylthian-4-amine

N-cyclopropyl-N-propan-2-ylthian-4-amine (PubChem CID 127012112) has the molecular formula C11H21NS and a molecular weight of 199.36 g/mol. Its IUPAC name is N-cyclopropyl-N-propan-2-ylthian-4-amine.

Molecular Properties

Compound NameN-cyclopropyl-N-propan-2-ylthian-4-amine
PubChem CID127012112
Molecular FormulaC11H21NS
Molecular Weight199.36 g/mol
Exact Mass199.14
IUPAC NameN-cyclopropyl-N-propan-2-ylthian-4-amine
SMILESCC(C)N(C1CCSCC1)C1CC1
InChIInChI=1S/C11H21NS/c1-9(2)12(10-3-4-10)11-5-7-13-8-6-11/h9-11H,3-8H2,1-2H3
InChIKeyIXUMBIYOTJKLHG-UHFFFAOYSA-N
XLogP2.75
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.36
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-(3-methylbutan-2-yl)thian-4-amine
CID 131067370
(2R)-2-[cyclopropyl(thian-4-yl)amino]butanoic acid
CID 129495494
(2S)-2-amino-N-cyclopropyl-N-(thian-4-yl)propanamide
CID 129496583
2-N-methyl-2-N-(thian-4-yl)propane-1,2-diamine
CID 83817830
N-cyclopropyl-N-propan-2-ylpiperidin-3-amine
CID 83828573
N-cyclopropyl-N-propan-2-ylcyclopropanamine;N,N-diethylpropan-2-amine;2-[di(propan-2-yl)amino]ethanol;N-ethyl-N-propan-2-ylpropan-2-amine
CID 160556177
2-[cyclopropyl(thian-4-yl)amino]ethanol
CID 121203663
1-(thian-4-yl)ethanamine
CID 82417750
N,N-dimethyl-4-propan-2-ylcyclohexan-1-amine;ethane
CID 169113778
N-methyl-N-propan-2-ylcyclopropanamine
CID 21024125
4-N-methyl-4-N-(thian-4-yl)benzene-1,4-diamine
CID 83838964
3-[cyclopropyl(thiane-4-carbonyl)amino]-2-methylpropanoic acid
CID 120535285

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-propan-2-ylthian-4-amine?
The IUPAC name of N-cyclopropyl-N-propan-2-ylthian-4-amine (CID 127012112) is N-cyclopropyl-N-propan-2-ylthian-4-amine.
What is the SMILES notation for N-cyclopropyl-N-propan-2-ylthian-4-amine?
The canonical SMILES for N-cyclopropyl-N-propan-2-ylthian-4-amine is CC(C)N(C1CCSCC1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-propan-2-ylthian-4-amine?
The InChIKey is IXUMBIYOTJKLHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NS/c1-9(2)12(10-3-4-10)11-5-7-13-8-6-11/h9-11H,3-8H2,1-2H3.
What are the key properties of N-cyclopropyl-N-propan-2-ylthian-4-amine?
N-cyclopropyl-N-propan-2-ylthian-4-amine has a molecular weight of 199.36 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-propan-2-ylthian-4-amine is sourced from PubChem (CID 127012112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).