[4-(cyclopropylmethylamino)piperidin-1-yl]-(thian-2-yl)methanone

C15H26N2OS — CID 115307101

IUPAC[4-(cyclopropylmethylamino)piperidin-1-yl]-(thian-2-yl)methanone
SMILESO=C(C1CCCCS1)N1CCC(NCC2CC2)CC1
InChIInChI=1S/C15H26N2OS/c18-15(14-3-1-2-10-19-14)17-8-6-13(7-9-17)16-11-12-4-5-12/h12-14,16H,1-11H2
InChIKeyGXUZXPXOTWTTNB-UHFFFAOYSA-N
MW282.45 g/mol
LogP2.26
Rot. Bonds4

About [4-(cyclopropylmethylamino)piperidin-1-yl]-(thian-2-yl)methanone

[4-(cyclopropylmethylamino)piperidin-1-yl]-(thian-2-yl)methanone (PubChem CID 115307101) has the molecular formula C15H26N2OS and a molecular weight of 282.45 g/mol. Its IUPAC name is [4-(cyclopropylmethylamino)piperidin-1-yl]-(thian-2-yl)methanone.

Molecular Properties

Compound Name[4-(cyclopropylmethylamino)piperidin-1-yl]-(thian-2-yl)methanone
PubChem CID115307101
Molecular FormulaC15H26N2OS
Molecular Weight282.45 g/mol
Exact Mass282.18
IUPAC Name[4-(cyclopropylmethylamino)piperidin-1-yl]-(thian-2-yl)methanone
SMILESO=C(C1CCCCS1)N1CCC(NCC2CC2)CC1
InChIInChI=1S/C15H26N2OS/c18-15(14-3-1-2-10-19-14)17-8-6-13(7-9-17)16-11-12-4-5-12/h12-14,16H,1-11H2
InChIKeyGXUZXPXOTWTTNB-UHFFFAOYSA-N
XLogP2.26
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.45
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cycloheptyl-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
CID 81483591
[4-(methylamino)piperidin-1-yl]-(thiolan-2-yl)methanone
CID 119560753
[4-(cyclopropylmethylamino)piperidin-1-yl]-(2,2-dimethylcyclohexyl)methanone
CID 107181008
cyclopropyl-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
CID 43747911
piperidin-1-yl(thian-2-yl)methanone
CID 80596392
[4-(2-aminoethyl)piperidin-1-yl]-(thian-2-yl)methanone
CID 80595049
[3-(chloromethyl)pyrrolidin-1-yl]-(thian-2-yl)methanone
CID 80595802
[4-(cyclopropylmethylamino)piperidin-1-yl]-pyrrolidin-1-ylmethanone
CID 115307161
[4-(2-hydroxyethoxy)piperidin-1-yl]-(thian-2-yl)methanone
CID 82691873
2-cyclopentyl-1-[4-(cyclopropylmethylamino)piperidin-1-yl]ethanone
CID 81424496
[4-(cyclopropylmethylamino)piperidin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone;hydrochloride
CID 119623859
[4-(cyclopropylmethylamino)piperidin-1-yl]-piperidin-1-ylmethanone
CID 115307169

Frequently Asked Questions

What is the IUPAC name of [4-(cyclopropylmethylamino)piperidin-1-yl]-(thian-2-yl)methanone?
The IUPAC name of [4-(cyclopropylmethylamino)piperidin-1-yl]-(thian-2-yl)methanone (CID 115307101) is [4-(cyclopropylmethylamino)piperidin-1-yl]-(thian-2-yl)methanone.
What is the SMILES notation for [4-(cyclopropylmethylamino)piperidin-1-yl]-(thian-2-yl)methanone?
The canonical SMILES for [4-(cyclopropylmethylamino)piperidin-1-yl]-(thian-2-yl)methanone is O=C(C1CCCCS1)N1CCC(NCC2CC2)CC1.
What is the InChIKey of [4-(cyclopropylmethylamino)piperidin-1-yl]-(thian-2-yl)methanone?
The InChIKey is GXUZXPXOTWTTNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2OS/c18-15(14-3-1-2-10-19-14)17-8-6-13(7-9-17)16-11-12-4-5-12/h12-14,16H,1-11H2.
What are the key properties of [4-(cyclopropylmethylamino)piperidin-1-yl]-(thian-2-yl)methanone?
[4-(cyclopropylmethylamino)piperidin-1-yl]-(thian-2-yl)methanone has a molecular weight of 282.45 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(cyclopropylmethylamino)piperidin-1-yl]-(thian-2-yl)methanone is sourced from PubChem (CID 115307101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).