4-(aminomethyl)-N-methyl-1-propan-2-yl-N-(thiolan-3-yl)piperidin-4-amine

C14H29N3S — CID 43296506

IUPAC4-(aminomethyl)-N-methyl-1-propan-2-yl-N-(thiolan-3-yl)piperidin-4-amine
SMILESCC(C)N1CCC(CN)(N(C)C2CCSC2)CC1
InChIInChI=1S/C14H29N3S/c1-12(2)17-7-5-14(11-15,6-8-17)16(3)13-4-9-18-10-13/h12-13H,4-11,15H2,1-3H3
InChIKeyDTQSRMICDZKCDC-UHFFFAOYSA-N
MW271.47 g/mol
LogP1.63
Rot. Bonds4

About 4-(aminomethyl)-N-methyl-1-propan-2-yl-N-(thiolan-3-yl)piperidin-4-amine

4-(aminomethyl)-N-methyl-1-propan-2-yl-N-(thiolan-3-yl)piperidin-4-amine (PubChem CID 43296506) has the molecular formula C14H29N3S and a molecular weight of 271.47 g/mol. Its IUPAC name is 4-(aminomethyl)-N-methyl-1-propan-2-yl-N-(thiolan-3-yl)piperidin-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-methyl-1-propan-2-yl-N-(thiolan-3-yl)piperidin-4-amine
PubChem CID43296506
Molecular FormulaC14H29N3S
Molecular Weight271.47 g/mol
Exact Mass271.21
IUPAC Name4-(aminomethyl)-N-methyl-1-propan-2-yl-N-(thiolan-3-yl)piperidin-4-amine
SMILESCC(C)N1CCC(CN)(N(C)C2CCSC2)CC1
InChIInChI=1S/C14H29N3S/c1-12(2)17-7-5-14(11-15,6-8-17)16(3)13-4-9-18-10-13/h12-13H,4-11,15H2,1-3H3
InChIKeyDTQSRMICDZKCDC-UHFFFAOYSA-N
XLogP1.63
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.47
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-methyl-1-propan-2-yl-N-(thiolan-3-yl)piperidin-4-amine?
The IUPAC name of 4-(aminomethyl)-N-methyl-1-propan-2-yl-N-(thiolan-3-yl)piperidin-4-amine (CID 43296506) is 4-(aminomethyl)-N-methyl-1-propan-2-yl-N-(thiolan-3-yl)piperidin-4-amine.
What is the SMILES notation for 4-(aminomethyl)-N-methyl-1-propan-2-yl-N-(thiolan-3-yl)piperidin-4-amine?
The canonical SMILES for 4-(aminomethyl)-N-methyl-1-propan-2-yl-N-(thiolan-3-yl)piperidin-4-amine is CC(C)N1CCC(CN)(N(C)C2CCSC2)CC1.
What is the InChIKey of 4-(aminomethyl)-N-methyl-1-propan-2-yl-N-(thiolan-3-yl)piperidin-4-amine?
The InChIKey is DTQSRMICDZKCDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3S/c1-12(2)17-7-5-14(11-15,6-8-17)16(3)13-4-9-18-10-13/h12-13H,4-11,15H2,1-3H3.
What are the key properties of 4-(aminomethyl)-N-methyl-1-propan-2-yl-N-(thiolan-3-yl)piperidin-4-amine?
4-(aminomethyl)-N-methyl-1-propan-2-yl-N-(thiolan-3-yl)piperidin-4-amine has a molecular weight of 271.47 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-methyl-1-propan-2-yl-N-(thiolan-3-yl)piperidin-4-amine is sourced from PubChem (CID 43296506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).