4-methyl-1-(thiolan-3-ylmethyl)piperidin-4-amine

C11H22N2S — CID 130668817

IUPAC4-methyl-1-(thiolan-3-ylmethyl)piperidin-4-amine
SMILESCC1(N)CCN(CC2CCSC2)CC1
InChIInChI=1S/C11H22N2S/c1-11(12)3-5-13(6-4-11)8-10-2-7-14-9-10/h10H,2-9,12H2,1H3
InChIKeyWGJJQHPABAWMRL-UHFFFAOYSA-N
MW214.38 g/mol
LogP1.55
Rot. Bonds2

About 4-methyl-1-(thiolan-3-ylmethyl)piperidin-4-amine

4-methyl-1-(thiolan-3-ylmethyl)piperidin-4-amine (PubChem CID 130668817) has the molecular formula C11H22N2S and a molecular weight of 214.38 g/mol. Its IUPAC name is 4-methyl-1-(thiolan-3-ylmethyl)piperidin-4-amine.

Molecular Properties

Compound Name4-methyl-1-(thiolan-3-ylmethyl)piperidin-4-amine
PubChem CID130668817
Molecular FormulaC11H22N2S
Molecular Weight214.38 g/mol
Exact Mass214.15
IUPAC Name4-methyl-1-(thiolan-3-ylmethyl)piperidin-4-amine
SMILESCC1(N)CCN(CC2CCSC2)CC1
InChIInChI=1S/C11H22N2S/c1-11(12)3-5-13(6-4-11)8-10-2-7-14-9-10/h10H,2-9,12H2,1H3
InChIKeyWGJJQHPABAWMRL-UHFFFAOYSA-N
XLogP1.55
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.38
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(thiolan-3-ylmethyl)-2,8-diazaspiro[4.5]decane
CID 120907139
4-phenyl-1-(thiolan-3-ylmethyl)piperidine-4-carboxylic acid
CID 107133706
N-(cyclopropylmethyl)-1-(thiolan-3-ylmethyl)piperidin-4-amine;hydrochloride
CID 120841663
3-(thiolan-3-ylmethyl)-3,9-diazabicyclo[4.2.1]nonane
CID 107133226
5-(thiolan-3-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 107133199
3-methyl-1-(thiolan-3-ylmethyl)imidazolidin-4-one
CID 127002211
4-(thiolan-3-ylmethyl)morpholine-2,6-dione
CID 107298371
1-(cyclopropylmethyl)-4-methylpiperidin-4-ol
CID 114286475
2-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]cycloheptan-1-amine
CID 107456123
N-propyl-1-(thiolan-3-ylmethyl)piperidin-3-amine
CID 107298390
1-[2-(7,7-dimethyl-1,4-thiazepan-4-yl)ethyl]piperidin-4-amine
CID 107456029
2-[1-(thiolan-3-ylmethyl)azetidin-3-yl]acetic acid
CID 107133710

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(thiolan-3-ylmethyl)piperidin-4-amine?
The IUPAC name of 4-methyl-1-(thiolan-3-ylmethyl)piperidin-4-amine (CID 130668817) is 4-methyl-1-(thiolan-3-ylmethyl)piperidin-4-amine.
What is the SMILES notation for 4-methyl-1-(thiolan-3-ylmethyl)piperidin-4-amine?
The canonical SMILES for 4-methyl-1-(thiolan-3-ylmethyl)piperidin-4-amine is CC1(N)CCN(CC2CCSC2)CC1.
What is the InChIKey of 4-methyl-1-(thiolan-3-ylmethyl)piperidin-4-amine?
The InChIKey is WGJJQHPABAWMRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2S/c1-11(12)3-5-13(6-4-11)8-10-2-7-14-9-10/h10H,2-9,12H2,1H3.
What are the key properties of 4-methyl-1-(thiolan-3-ylmethyl)piperidin-4-amine?
4-methyl-1-(thiolan-3-ylmethyl)piperidin-4-amine has a molecular weight of 214.38 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(thiolan-3-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 130668817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).