N-(2-cyclopropylpropyl)thian-4-amine

C11H21NS — CID 115592688

IUPACN-(2-cyclopropylpropyl)thian-4-amine
SMILESCC(CNC1CCSCC1)C1CC1
InChIInChI=1S/C11H21NS/c1-9(10-2-3-10)8-12-11-4-6-13-7-5-11/h9-12H,2-8H2,1H3
InChIKeyDQWNJTWCOSNHPO-UHFFFAOYSA-N
MW199.36 g/mol
LogP2.52
Rot. Bonds4

About N-(2-cyclopropylpropyl)thian-4-amine

N-(2-cyclopropylpropyl)thian-4-amine (PubChem CID 115592688) has the molecular formula C11H21NS and a molecular weight of 199.36 g/mol. Its IUPAC name is N-(2-cyclopropylpropyl)thian-4-amine.

Molecular Properties

Compound NameN-(2-cyclopropylpropyl)thian-4-amine
PubChem CID115592688
Molecular FormulaC11H21NS
Molecular Weight199.36 g/mol
Exact Mass199.14
IUPAC NameN-(2-cyclopropylpropyl)thian-4-amine
SMILESCC(CNC1CCSCC1)C1CC1
InChIInChI=1S/C11H21NS/c1-9(10-2-3-10)8-12-11-4-6-13-7-5-11/h9-12H,2-8H2,1H3
InChIKeyDQWNJTWCOSNHPO-UHFFFAOYSA-N
XLogP2.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.36
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-cyclopropylpropyl)cyclooctanamine
CID 115592679
4-(2-cyclopropylpropylamino)cyclohexan-1-ol
CID 106595134
1-cyclopropyl-N,N-dimethyl-N'-(thian-4-yl)ethane-1,2-diamine;hydrochloride
CID 115584811
N-(2-cyclopropylpropyl)-3-ethoxycyclobutan-1-amine
CID 115903592
N-(2-cyclopropylpropyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 115592687
(2S)-1-[[(3S)-thiolan-3-yl]amino]propan-2-ol
CID 93033310
propan-2-yl 2-(thian-4-ylamino)acetate
CID 115627172
N-(2-cyclopropylpropyl)-1,1-dioxothian-3-amine
CID 115900871
3-[(thian-4-ylamino)methyl]hexan-1-ol
CID 111470638
N-(2-cyclopropylpropyl)-2-propan-2-yloxan-4-amine
CID 115914476
ethyl 4-(2-cyclopropylpropylamino)piperidine-1-carboxylate
CID 115690872
N-(2-cyclopropylpropyl)-3-methylbutan-1-amine
CID 115592627

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropylpropyl)thian-4-amine?
The IUPAC name of N-(2-cyclopropylpropyl)thian-4-amine (CID 115592688) is N-(2-cyclopropylpropyl)thian-4-amine.
What is the SMILES notation for N-(2-cyclopropylpropyl)thian-4-amine?
The canonical SMILES for N-(2-cyclopropylpropyl)thian-4-amine is CC(CNC1CCSCC1)C1CC1.
What is the InChIKey of N-(2-cyclopropylpropyl)thian-4-amine?
The InChIKey is DQWNJTWCOSNHPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NS/c1-9(10-2-3-10)8-12-11-4-6-13-7-5-11/h9-12H,2-8H2,1H3.
What are the key properties of N-(2-cyclopropylpropyl)thian-4-amine?
N-(2-cyclopropylpropyl)thian-4-amine has a molecular weight of 199.36 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropylpropyl)thian-4-amine is sourced from PubChem (CID 115592688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).