N-(3-methylsulfanylpropyl)-1-piperidin-1-ylpropan-2-amine

C12H26N2S — CID 43434982

IUPACN-(3-methylsulfanylpropyl)-1-piperidin-1-ylpropan-2-amine
SMILESCSCCCNC(C)CN1CCCCC1
InChIInChI=1S/C12H26N2S/c1-12(13-7-6-10-15-2)11-14-8-4-3-5-9-14/h12-13H,3-11H2,1-2H3
InChIKeyATBRYBYWVISHDO-UHFFFAOYSA-N
MW230.42 g/mol
LogP2.20
Rot. Bonds7

About N-(3-methylsulfanylpropyl)-1-piperidin-1-ylpropan-2-amine

N-(3-methylsulfanylpropyl)-1-piperidin-1-ylpropan-2-amine (PubChem CID 43434982) has the molecular formula C12H26N2S and a molecular weight of 230.42 g/mol. Its IUPAC name is N-(3-methylsulfanylpropyl)-1-piperidin-1-ylpropan-2-amine.

Molecular Properties

Compound NameN-(3-methylsulfanylpropyl)-1-piperidin-1-ylpropan-2-amine
PubChem CID43434982
Molecular FormulaC12H26N2S
Molecular Weight230.42 g/mol
Exact Mass230.18
IUPAC NameN-(3-methylsulfanylpropyl)-1-piperidin-1-ylpropan-2-amine
SMILESCSCCCNC(C)CN1CCCCC1
InChIInChI=1S/C12H26N2S/c1-12(13-7-6-10-15-2)11-14-8-4-3-5-9-14/h12-13H,3-11H2,1-2H3
InChIKeyATBRYBYWVISHDO-UHFFFAOYSA-N
XLogP2.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.42
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methylsulfanyl-N-(1-morpholin-4-ylpropan-2-yl)butan-1-amine
CID 103087400
N-(1-piperidin-1-ylpropan-2-yl)hexan-1-amine
CID 43749038
3-methyl-N-(1-piperidin-1-ylpropan-2-yl)butan-1-amine
CID 43434983
N',N'-dimethyl-N-(1-pyrrolidin-1-ylpropan-2-yl)propane-1,3-diamine
CID 114525110
5-(1-pyrrolidin-1-ylpropan-2-ylamino)pentan-1-ol
CID 62228276
5-(1-piperidin-1-ylpropan-2-ylamino)pentanamide
CID 114281596
N-(2-fluoroethyl)-1-pyrrolidin-1-ylpropan-2-amine
CID 80693865
N-(3-ethylsulfonylpropyl)-1-pyrrolidin-1-ylpropan-2-amine
CID 65093417
1-morpholin-4-yl-N-(3-pyrrolidin-1-ylpropyl)propan-2-amine
CID 54965105
N'-hydroxy-5-(1-piperidin-1-ylpropan-2-ylamino)pentanimidamide
CID 77030734
N-[2-(3-methoxypropoxy)ethyl]-1-piperidin-1-ylpropan-2-amine
CID 103178774
N-[2-(2-methylpropoxy)ethyl]-1-piperidin-1-ylpropan-2-amine
CID 106451807

Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfanylpropyl)-1-piperidin-1-ylpropan-2-amine?
The IUPAC name of N-(3-methylsulfanylpropyl)-1-piperidin-1-ylpropan-2-amine (CID 43434982) is N-(3-methylsulfanylpropyl)-1-piperidin-1-ylpropan-2-amine.
What is the SMILES notation for N-(3-methylsulfanylpropyl)-1-piperidin-1-ylpropan-2-amine?
The canonical SMILES for N-(3-methylsulfanylpropyl)-1-piperidin-1-ylpropan-2-amine is CSCCCNC(C)CN1CCCCC1.
What is the InChIKey of N-(3-methylsulfanylpropyl)-1-piperidin-1-ylpropan-2-amine?
The InChIKey is ATBRYBYWVISHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2S/c1-12(13-7-6-10-15-2)11-14-8-4-3-5-9-14/h12-13H,3-11H2,1-2H3.
What are the key properties of N-(3-methylsulfanylpropyl)-1-piperidin-1-ylpropan-2-amine?
N-(3-methylsulfanylpropyl)-1-piperidin-1-ylpropan-2-amine has a molecular weight of 230.42 g/mol, XLogP of 2.20, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfanylpropyl)-1-piperidin-1-ylpropan-2-amine is sourced from PubChem (CID 43434982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).