(NZ)-N-(1-amino-2-methylpropylidene)-4-(3-methylsulfanyloxypropyl)piperidine-1-carboxamide

C14H27N3O2S — CID 143923628

IUPAC(NZ)-N-(1-amino-2-methylpropylidene)-4-(3-methylsulfanyloxypropyl)piperidine-1-carboxamide
SMILESCSOCCCC1CCN(C(=O)/N=C(\N)C(C)C)CC1
InChIInChI=1S/C14H27N3O2S/c1-11(2)13(15)16-14(18)17-8-6-12(7-9-17)5-4-10-19-20-3/h11-12H,4-10H2,1-3H3,(H2,15,16,18)
InChIKeyCONPFKRBBKQRKD-UHFFFAOYSA-N
MW301.46 g/mol
LogP2.91
Rot. Bonds6

About (NZ)-N-(1-amino-2-methylpropylidene)-4-(3-methylsulfanyloxypropyl)piperidine-1-carboxamide

(NZ)-N-(1-amino-2-methylpropylidene)-4-(3-methylsulfanyloxypropyl)piperidine-1-carboxamide (PubChem CID 143923628) has the molecular formula C14H27N3O2S and a molecular weight of 301.46 g/mol. Its IUPAC name is (NZ)-N-(1-amino-2-methylpropylidene)-4-(3-methylsulfanyloxypropyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(NZ)-N-(1-amino-2-methylpropylidene)-4-(3-methylsulfanyloxypropyl)piperidine-1-carboxamide
PubChem CID143923628
Molecular FormulaC14H27N3O2S
Molecular Weight301.46 g/mol
Exact Mass301.18
IUPAC Name(NZ)-N-(1-amino-2-methylpropylidene)-4-(3-methylsulfanyloxypropyl)piperidine-1-carboxamide
SMILESCSOCCCC1CCN(C(=O)/N=C(\N)C(C)C)CC1
InChIInChI=1S/C14H27N3O2S/c1-11(2)13(15)16-14(18)17-8-6-12(7-9-17)5-4-10-19-20-3/h11-12H,4-10H2,1-3H3,(H2,15,16,18)
InChIKeyCONPFKRBBKQRKD-UHFFFAOYSA-N
XLogP2.91
TPSA67.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[1-[(1-Amino-2-methylpropylidene)carbamoyl]piperidin-4-yl]butyl methanesulfinate
CID 91160784
[(3R)-3-[1-[(Z)-1-aminopropylidenecarbamoyl]piperidin-4-yl]butyl] methanesulfinate;hydrate
CID 144051479
CID 144263840
CID 144263840
[(3R)-3-[1-(2-methylpropanimidoylcarbamoyl)piperidin-4-yl]butyl] methanesulfonate
CID 173478549
N-(1-aminopropylidene)-4-[(2R)-4-hydroxybutan-2-yl]piperidine-1-carboxamide
CID 143776658
[(3R)-3-[1-[(Z)-1-aminopropylidenecarbamoyl]piperidin-4-yl]butyl] methanesulfinate
CID 144051480
[(3R)-3-[1-[(Z)-(1-amino-2-methylpropylidene)carbamoyl]piperidin-4-yl]butyl] methanesulfinate
CID 144263841

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-(1-amino-2-methylpropylidene)-4-(3-methylsulfanyloxypropyl)piperidine-1-carboxamide?
The IUPAC name of (NZ)-N-(1-amino-2-methylpropylidene)-4-(3-methylsulfanyloxypropyl)piperidine-1-carboxamide (CID 143923628) is (NZ)-N-(1-amino-2-methylpropylidene)-4-(3-methylsulfanyloxypropyl)piperidine-1-carboxamide.
What is the SMILES notation for (NZ)-N-(1-amino-2-methylpropylidene)-4-(3-methylsulfanyloxypropyl)piperidine-1-carboxamide?
The canonical SMILES for (NZ)-N-(1-amino-2-methylpropylidene)-4-(3-methylsulfanyloxypropyl)piperidine-1-carboxamide is CSOCCCC1CCN(C(=O)/N=C(\N)C(C)C)CC1.
What is the InChIKey of (NZ)-N-(1-amino-2-methylpropylidene)-4-(3-methylsulfanyloxypropyl)piperidine-1-carboxamide?
The InChIKey is CONPFKRBBKQRKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2S/c1-11(2)13(15)16-14(18)17-8-6-12(7-9-17)5-4-10-19-20-3/h11-12H,4-10H2,1-3H3,(H2,15,16,18).
What are the key properties of (NZ)-N-(1-amino-2-methylpropylidene)-4-(3-methylsulfanyloxypropyl)piperidine-1-carboxamide?
(NZ)-N-(1-amino-2-methylpropylidene)-4-(3-methylsulfanyloxypropyl)piperidine-1-carboxamide has a molecular weight of 301.46 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-(1-amino-2-methylpropylidene)-4-(3-methylsulfanyloxypropyl)piperidine-1-carboxamide is sourced from PubChem (CID 143923628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).